SCHEMBL4219600

SCHEMBL4219600

Cc1nn(C)c(N)c1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 1.00
CDK8 P49336 1/20 0.65
ACVR1 Q04771 1/20 0.65
RAB9A P51151 12/20 0.64
NPC1 O15118 11/20 0.64
SMN1; SMN2 Q16637 10/20 0.64
HPGD P15428 5/20 0.62
POLB P06746 3/20 0.60
TP53 P04637 5/20 0.58
ALDH1A1 P00352 3/20 0.58
LMNA P02545 3/20 0.58
KDM4E B2RXH2 2/20 0.58
HCRTR1 O43613 1/20 0.58
HTT P42858 1/20 0.58
GAA P10253 1/20 0.58
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPSR1 Q6W5P4 2/20 0.50
NFKB1 P19838 3/20 0.49
NFKB2 Q00653 3/20 0.49

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
SCHEMBL1719539 0.81 MAPT (0.69) MAPTCDK8ACVR1RAB9ANPC1
SCHEMBL16408442 0.81 MAPT (0.69) MAPTCDK8ACVR1RAB9ANPC1
SCHEMBL19926278 0.81 MAPT (0.68) MAPTCDK8ACVR1RAB9ANPC1
SCHEMBL20320421 0.80 MAPT (0.67) MAPTCDK8ACVR1RAB9ANPC1
SCHEMBL10927961 0.79 MAPT (0.66) MAPTCDK8ACVR1RAB9ANPC1
SCHEMBL11577752 0.78 SMN1; SMN2 (1.00) MAPTRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL23401154 0.77 MAPT (0.62) MAPTCDK8ACVR1RAB9ANPC1
SCHEMBL26836390 0.77 MAPT (0.62) MAPTCDK8ACVR1RAB9ANPC1
SCHEMBL27217187 0.77 MAPT (0.62) MAPTCDK8ACVR1RAB9ANPC1
SCHEMBL13974933 0.77 MAPT (0.62) MAPTCDK8ACVR1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3590340-B1 INTERMEDIATES FOR THE SYNTHESIS OF FUNGICIDAL PYRAZOLES FMC CORP (US) 2023-11-15 EP disclosed
CN-115074760-B Electrochemical synthesis method of 5-aminopyrazole-4-thiocyanate compound 阜阳师范大学 2023-11-03 CN disclosed
CN-115074760-A Electrochemical synthesis method of 5-aminopyrazole-4-thiocyanic acid ester compound 阜阳师范大学 2022-09-20 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-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-9981959-B2 Thiazolyl and oxazolyl urea, thiourea, guanidine and cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2018-05-29 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
US-9969694-B2 N-(arylalkyl)-N′-pyrazolyl-urea, thiourea, guanidine and cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2018-05-15 US disclosed
US-20150166564-A1 PYRROLIDINYL UREA, PYRROLIDINYL THIOUREA AND PYRROLIDINYL GUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS Array BioPharama Inc. (US) 2015-06-18 US disclosed
WO-2014078454-A1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN ARRAY BIOPHARMA INC. (US) 2014-05-22 WO disclosed
WO-2014078322-A1 THIAZOLYL AND OXAZOLYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-05-22 WO 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-2014078328-A1 N-BICYCLIC ARYL,N'-PYRAZOLYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-05-22 WO disclosed
WO-2014078408-A1 BICYCLIC HETEROARYL 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-20090221838-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PYRAZOLES LONZA AG (CH) 2009-09-03 US disclosed
EP-1919876-A1 METHOD FOR PRODUCING SUBSTITUTED PYRAZOLES LONZA AG (CH) 2008-05-14 EP disclosed
WO-2007020098-A1 METHOD FOR PRODUCING SUBSTITUTED PYRAZOLES LONZA AG (CH) 2007-02-22 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 (6 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-20090221838-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PYRAZOLES CYP3A5, CBR3, CYP3A4 MAPT 2778/4885CDK8 1190/4885ACVR1 2081/4885
US-20190270749-A1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN TK1, UACA, TDP1 MAPT 464/4885CDK8 185/4885ACVR1 1303/4885
US-10323022-B2 Pyrrolidinyl urea, pyrrolidinyl thiourea and pyrrolidinyl guanidine compounds as TrkA kinase inhibitors RET, TK1, DSTYK MAPT 118/4885CDK8 227/4885ACVR1 2392/4885
US-20150166564-A1 PYRROLIDINYL UREA, PYRROLIDINYL THIOUREA AND PYRROLIDINYL GUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS RET, TK1, DSTYK MAPT 118/4885CDK8 227/4885ACVR1 2392/4885
US-10889589-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain TK1, UACA, TDP1 MAPT 464/4885CDK8 185/4885ACVR1 1303/4885
US-10351575-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain TK1, UACA, TDP1 MAPT 464/4885CDK8 185/4885ACVR1 1303/4885

“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.