SCHEMBL4600574

SCHEMBL4600574

N#CCC(=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.64
NR4A2 P43354 1/20 0.64
NR4A3 Q92570 1/20 0.64
MAOB P27338 3/20 0.60
PARP10 Q53GL7 1/20 0.60
GUSB P08236 1/20 0.60
SRD5A2 P31213 1/20 0.59
EGFR P00533 4/20 0.58
PLA2G4B P0C869 1/20 0.56
RAB9A P51151 2/20 0.56
ALDH1A1 P00352 1/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4857648 0.88 MEN1 (0.67) NR4A1NR4A2NR4A3MAOBPARP10
SCHEMBL7368121 0.85 GUSB (0.64) NR4A1NR4A2NR4A3MAOBPARP10
SCHEMBL1416849 0.85 NR4A2 (0.68) NR4A2MAOBGUSBSRD5A2ALDH1A1
SCHEMBL978700 0.81 NR4A2 (0.68) NR4A1NR4A2NR4A3MAOBPARP10
SCHEMBL1960673 0.81 NR4A1 (0.72) NR4A1NR4A2NR4A3MAOBPARP10
SCHEMBL4220632 0.81 NR4A1 (0.72) NR4A1NR4A2NR4A3MAOBPARP10
SCHEMBL3580785 0.81 ERCC5 (0.58) PARP10SRD5A2MAPTSMN1; SMN2
SCHEMBL2686570 0.80 NR4A1 (0.70) NR4A1NR4A2NR4A3MAOBPARP10
SCHEMBL41220 0.80 NR4A1 (0.70) NR4A1NR4A2NR4A3MAOBPARP10
SCHEMBL9718167 0.80 NR4A1 (0.70) NR4A1NR4A2NR4A3MAOBPARP10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230263893-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS ARVINAS OPERATIONS, INC. 2023-08-24 US disclosed
US-20210187108-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS ARVINAS OPERATIONS, INC. 2021-06-24 US disclosed
CN-108329246-B Pyrrolidinyl urea and pyrrolidinyl thiourea compounds as TRKA kinase inhibitors 阵列生物制药公司 2021-02-26 CN disclosed
US-10889589-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain ARRAY BIOPHARMA INC. (US) 2021-01-12 US disclosed
US-10772962-B2 Compounds and methods for the targeted degradation of bromodomain-containing proteins ARVINAS OPERATIONS, INC. (US) 2020-09-15 US disclosed
US-20190270749-A1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN ARRAY BIOPHARMA INC. (US) 2019-09-05 US disclosed
US-10351575-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain ARRAY BIOPHARMA INC. (US) 2019-07-16 US disclosed
US-10323022-B2 Pyrrolidinyl urea, pyrrolidinyl thiourea and pyrrolidinyl guanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-06-18 US disclosed
US-20180334450-A1 PYRROLIDINYL UREA, PYRROLIDINYL THIOUREA AND PYRROLIDINYL GUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2018-11-22 US disclosed
US-9981959-B2 Thiazolyl and oxazolyl urea, thiourea, guanidine and cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2018-05-29 US disclosed
WO-2014078331-A1 N-(ARYLALKYL)-N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-05-22 WO disclosed
WO-2012158413-A2 PYRROLIDINYL UREA AND PYRROLIDINYL THIOUREA COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-11-22 WO disclosed
US-20120245170-A1 PYRAZOLOPYRIDINE DERIVATIVES AS ANTICANCER AGENT PIERRE FABRE MEDICAMENT (FR) 2012-09-27 US disclosed
US-20080287517-A1 Pyrazole Derivatives as Cb1 Modulators ASTRAZENECA AB (SE) 2008-11-20 US disclosed
EP-1910331-A1 PYRAZOLE DERIVATIVES AS CBl MODULATORS AstraZeneca AB (SE) 2008-04-16 EP disclosed
WO-2007010217-A1 PYRAZOLE DERIVATIVES AS CBl MODULATORS ASTRAZENECA AB (SE) 2007-01-25 WO disclosed
EP-1077956-B1 3-SUBSTITUTED 5-ARYL-4-ISOXAZOLECARBONITRILES HAVING ANTIVIRAL ACTIVITY UNIV CATANIA (IT) 2004-10-13 EP disclosed
US-6414004-B1 POLIO VIRUS, ECHOVIRUS, COXSACKLE VIRUS, RHINO VIRUS, MYXOVIRUS UNIVERSITA' DEGLI STUDI DI CATANIA (IT) 2002-07-02 US disclosed
EP-1077956-A1 3-SUBSTITUTED 5-ARYL-4-ISOXAZOLECARBONITRILES HAVING ANTIVIRAL ACTIVITY Universita' Degli Studi Di Catania (IT) 2001-02-28 EP disclosed
WO-1999059984-A1 3-SUBSTITUTED 5-ARYL-4-ISOXAZOLECARBONITRILES HAVING ANTIVIRAL ACTIVITY UNIVERSITA' DEGLI STUDI DI CATANIA (IT) 1999-11-25 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190270749-A1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN TK1, UACA, TDP1 NR4A1 1015/4885NR4A2 1967/4885NR4A3 2160/4885
US-20120245170-A1 PYRAZOLOPYRIDINE DERIVATIVES AS ANTICANCER AGENT DPYD, TYMP, ABCB1 NR4A1 4169/4885NR4A2 3518/4885NR4A3 3819/4885
US-10772962-B2 Compounds and methods for the targeted degradation of bromodomain-containing proteins BRPF3, STUB1, BRDT NR4A1 3725/4885NR4A2 2409/4885NR4A3 2014/4885
US-20080287517-A1 Pyrazole Derivatives as Cb1 Modulators CNR1, CNR2, HTR3C NR4A1 207/4885NR4A2 632/4885NR4A3 238/4885
US-10323022-B2 Pyrrolidinyl urea, pyrrolidinyl thiourea and pyrrolidinyl guanidine compounds as TrkA kinase inhibitors RET, TK1, DSTYK NR4A1 738/4885NR4A2 1300/4885NR4A3 1260/4885
US-20210187108-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS BRPF3, STUB1, BRDT NR4A1 3725/4885NR4A2 2409/4885NR4A3 2014/4885
US-10889589-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain TK1, UACA, TDP1 NR4A1 1015/4885NR4A2 1967/4885NR4A3 2160/4885
US-20180334450-A1 PYRROLIDINYL UREA, PYRROLIDINYL THIOUREA AND PYRROLIDINYL GUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS RET, TK1, DSTYK NR4A1 738/4885NR4A2 1300/4885NR4A3 1260/4885
US-20230263893-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS BRPF3, STUB1, BRDT NR4A1 3725/4885NR4A2 2409/4885NR4A3 2014/4885
US-10351575-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain TK1, UACA, TDP1 NR4A1 1015/4885NR4A2 1967/4885NR4A3 2160/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.