SCHEMBL1015406

SCHEMBL1015406

CC(C)(C)c1cc(N)n(-c2ccccc2F)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.40
MAPK13 O15264 4/20 0.40
MAPK12 P53778 4/20 0.40
MAPK11 Q15759 4/20 0.40
GRN P28799 1/20 0.40
SORT1 Q99523 1/20 0.40
KMT2A Q03164 2/20 0.39
HPGD P15428 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
FLT3 P36888 1/20 0.38
NTRK1 P04629 1/20 0.38
KCNN4 O15554 1/20 0.38
MEN1 O00255 1/20 0.37
PRNP P04156 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
SCN9A Q15858 1/20 0.36
CDK8 P49336 1/20 0.36
ADORA1 P30542 1/20 0.36

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
SCHEMBL31388014 1.00 MAPK14 (0.40) MAPK14MAPK13MAPK12MAPK11GRN
SCHEMBL31388015 0.83 KDM4E (0.38) MAPK14MAPK13MAPK12MAPK11GRN
SCHEMBL30704928 0.83 CNR2 (0.42) KMT2AKDM4EALDH1A1MEN1CDK8
SCHEMBL1408369 0.83 KDM4E (0.38) MAPK14MAPK13MAPK12MAPK11GRN
SCHEMBL4460942 0.83 CNR2 (0.42) KMT2AKDM4EALDH1A1MEN1CDK8
SCHEMBL31391171 0.83 KDM4E (0.40) MAPK14MAPK13MAPK12MAPK11GRN
SCHEMBL1013289 0.83 ALDH1A1 (0.56) MAPK14MAPK13MAPK12MAPK11GRN
SCHEMBL1010956 0.82 RXRA (0.41) MAPK14MAPK13MAPK12MAPK11GRN
Hydrochloric Acid SCHEMBL1492473 0.81 ALDH1A1 (0.55) MAPK14MAPK13MAPK12MAPK11GRN
SCHEMBL15007938 0.81 GRN (0.43) MAPK14MAPK13MAPK12MAPK11GRN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-10053430-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORP. (US) 2018-08-21 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-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
EP-2268623-B9 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP (US) 2018-02-28 EP disclosed
WO-2012158413-A2 PYRROLIDINYL UREA AND PYRROLIDINYL THIOUREA COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-11-22 WO disclosed
US-20120184561-A1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2012-07-19 US disclosed
US-8030311-B2 Phenylacetamides suitable as protein kinase inhibitors NOVARTIS AG (CH) 2011-10-04 US disclosed
US-20110118245-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP. 2011-05-19 US disclosed
EP-1874770-B1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2011-03-09 EP disclosed
EP-2268623-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2011-01-05 EP disclosed
WO-2009117080-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATON (US) 2009-09-24 WO disclosed
US-20080319005-A1 Phenylacetamides Suitable as Protein Kinase Inhibitors NOVARTIS AG (CH) 2008-12-25 US disclosed
EP-1874770-A1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS Novartis Pharma AG (CH) 2008-01-09 EP disclosed
WO-2006108640-A1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2006-10-19 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 (8 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-10053430-B2 RAF kinase modulator compounds and methods of use thereof BRAF, RAF1, ARAF MAPK14 145/4885MAPK13 117/4885MAPK12 139/4885
US-20190270749-A1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN TK1, UACA, TDP1 MAPK14 509/4885MAPK13 469/4885MAPK12 491/4885
US-20110118245-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF MAPK14 80/4885MAPK13 76/4885MAPK12 124/4885
US-20120184561-A1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS MAP3K10, MAP3K20, MAP3K9 MAPK14 81/4885MAPK13 161/4885MAPK12 122/4885
US-10323022-B2 Pyrrolidinyl urea, pyrrolidinyl thiourea and pyrrolidinyl guanidine compounds as TrkA kinase inhibitors RET, TK1, DSTYK MAPK14 594/4885MAPK13 540/4885MAPK12 561/4885
US-10889589-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain TK1, UACA, TDP1 MAPK14 509/4885MAPK13 469/4885MAPK12 491/4885
US-20080319005-A1 Phenylacetamides Suitable as Protein Kinase Inhibitors MAP3K20, MAP3K10, MAP3K9 MAPK14 80/4885MAPK13 148/4885MAPK12 111/4885
US-10351575-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain TK1, UACA, TDP1 MAPK14 509/4885MAPK13 469/4885MAPK12 491/4885

“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.