SCHEMBL398334

SCHEMBL398334

CCOC(=O)c1cccc(-n2nc(C(C)(C)C)cc2N)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 2/20 0.48
ATM Q13315 1/20 0.47
ESRRA P11474 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KMT2A Q03164 2/20 0.45
ALOX15 P16050 1/20 0.45
HTT P42858 1/20 0.45
NPBWR1 P48145 1/20 0.45
MCHR1 Q99705 1/20 0.45
ALOX5 P09917 1/20 0.44
GAA P10253 1/20 0.43
THRB P10828 1/20 0.43
TP53 P04637 1/20 0.43
JMJD6 Q6NYC1 1/20 0.43

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
SCHEMBL4051322 0.90 KLKB1 (0.49) ALDH1A1SMN1; SMN2LMNAATMESRRA
SCHEMBL2081991 0.87 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2LMNAKDM4EHPGD
SCHEMBL13532243 0.87 TP53 (0.48) ALDH1A1ESRRAHPGDGAATP53
Hydrochloric Acid SCHEMBL3173855 0.86 TP53 (0.47) ALDH1A1ESRRAHPGDGAATP53
SCHEMBL4295664 0.85 KMT2A (0.56) ALDH1A1SMN1; SMN2LMNAATMESRRA
SCHEMBL2084183 0.84 GRN (0.49) ALDH1A1
SCHEMBL16280327 0.84 CYP1A2 (0.41) ALDH1A1SMN1; SMN2LMNAKDM4EHPGD
SCHEMBL2082052 0.83 GRN (0.55) ALDH1A1KDM4EHSD17B10KMT2AALOX15
SCHEMBL2085500 0.82 ATM (0.47) ALDH1A1SMN1; SMN2LMNAATMESRRA
SCHEMBL2084523 0.82 AOC2 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-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-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
WO-2006071940-A2 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-07-06 WO disclosed
CN-1756849-A Modulation of protein functionality DECIPHERA PHARMACEUTICALS LLC (US) 2006-04-05 CN disclosed
WO-2006014290-A2 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-02-09 WO disclosed
US-20050288286-A1 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC 2005-12-29 US disclosed
EP-1585734-A2 ANTI-INFLAMMATORY MEDICAMENTS Deciphera Pharmaceuticals, LLC (US) 2005-10-19 EP disclosed
EP-1585827-A2 MODULATION OF PROTEIN FUNCTIONALITIES Deciphera Pharmaceuticals, LLC (US) 2005-10-19 EP disclosed
US-20040180906-A1 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC 2004-09-16 US disclosed
US-20040171075-A1 Modulation of protein functionalities DECIPHERA PHARMACEUTICALS, LLC 2004-09-02 US disclosed
WO-2004061084-A2 MODULATION OF PROTEIN FUNCTIONALITIES DECIPHERA PHARMACEUTICALS, LLC (US) 2004-07-22 WO disclosed
WO-2004060306-A2 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2004-07-22 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 (7 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 ALDH1A1 3388/4885SMN1; SMN2 2313/4885LMNA 3225/4885
US-10323022-B2 Pyrrolidinyl urea, pyrrolidinyl thiourea and pyrrolidinyl guanidine compounds as TrkA kinase inhibitors RET, TK1, DSTYK ALDH1A1 3125/4885SMN1; SMN2 1881/4885LMNA 2916/4885
US-20050288286-A1 Anti-inflammatory medicaments MIF, PTGES2, TNF ALDH1A1 3257/4885SMN1; SMN2 3576/4885LMNA 3791/4885
US-10889589-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain TK1, UACA, TDP1 ALDH1A1 3388/4885SMN1; SMN2 2313/4885LMNA 3225/4885
US-20040180906-A1 Anti-inflammatory medicaments MIF, PTGES2, TNF ALDH1A1 3257/4885SMN1; SMN2 3576/4885LMNA 3791/4885
US-20180334450-A1 PYRROLIDINYL UREA, PYRROLIDINYL THIOUREA AND PYRROLIDINYL GUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS RET, TK1, DSTYK ALDH1A1 3125/4885SMN1; SMN2 1881/4885LMNA 2916/4885
US-10351575-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain TK1, UACA, TDP1 ALDH1A1 3388/4885SMN1; SMN2 2313/4885LMNA 3225/4885

“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.