SCHEMBL922676

SCHEMBL922676

Nc1cc(-c2cn[nH]c2)n[nH]1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 7/20 0.44
PIM3 Q86V86 2/20 0.44
PIM2 Q9P1W9 2/20 0.44
AKT2 P31751 6/20 0.44
AKT1 P31749 1/20 0.44
CHEK1 O14757 3/20 0.40
LRRK2 Q5S007 1/20 0.36
ROCK2 O75116 1/20 0.36
MAPK1 P28482 1/20 0.36
CHEK2 O96017 1/20 0.34
ABL1 P00519 1/20 0.34

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
SCHEMBL3740850 0.73 AKT2 (0.70) PIM1PIM3PIM2AKT2AKT1
SCHEMBL17980230 0.72 AURKA (0.42) PIM1
SCHEMBL28549636 0.72 PIM1 (0.38) PIM1PIM3PIM2AKT2AKT1
SCHEMBL15849790 0.71 AKT2 (0.61) PIM1PIM3PIM2AKT2AKT1
SCHEMBL29533228 0.71 AKT2 (0.61) PIM1PIM3PIM2AKT2AKT1
Hydrochloric Acid SCHEMBL28973063 0.71 AKT2 (0.67) PIM1PIM3PIM2AKT2AKT1
SCHEMBL28466328 0.69 ALPL (0.58) MAPK1
SCHEMBL168659 0.69 POLB (0.61) PIM1CHEK1LRRK2
SCHEMBL643407 0.69 ADORA3 (0.34) CHEK1
SCHEMBL12692668 0.69 PIK3CD (0.50) CHEK1

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 19 patents. 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-10323022-B2 Pyrrolidinyl urea, pyrrolidinyl thiourea and pyrrolidinyl guanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-06-18 US disclosed
US-10160727-B2 Heterocycle and carbocycle derivatives having TrkA inhibitory activity SHIONOGI & CO., LTD. (JP) 2018-12-25 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-9878997-B2 Pyrrolidinyl urea, pyrrolidinyl thiourea and pyrrolidinyl guanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2018-01-30 US disclosed
US-20170240512-A1 HETEROCYCLE AND CARBOCYCLE DERIVATIVES HAVING TRKA INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-08-24 US disclosed
US-20170217936-A1 PYRROLIDINYL UREA, PYRROLIDINYL THIOUREA AND PYRROLIDINYL GUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2017-08-03 US disclosed
CN-104903310-A Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain ARRAY BIOPHARMA INC 2015-09-09 CN disclosed
EP-2807162-A1 SUBSTITUTED PHENYLIMIDAZOPYRAZOLES AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2014-12-03 EP disclosed
WO-2014078325-A1 N-(MONOCYCLIC ARYL),N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-05-22 WO disclosed
WO-2013110590-A1 SUBSTITUTED PHENYLIMIDAZOPYRAZOLES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-08-01 WO disclosed
US-8445694-B2 Hydrazonopyrazole derivatives and their use as therapeutics DERMIRA (CANADA), INC. (US) 2013-05-21 US disclosed
WO-2012158413-A2 PYRROLIDINYL UREA AND PYRROLIDINYL THIOUREA COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-11-22 WO disclosed
EP-2470539-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2012-07-04 EP disclosed
US-20110237783-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS Valocor Therapeutics, Inc. (CA) 2011-09-29 US disclosed
WO-2011025951-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-03-03 WO disclosed
US-7875728-B2 tert-butyl-[5-methyl-4-(phenylhydrazono)-4H-pyrazol-3-yl]amine; 4-(3-fluorophenylhydrazono)-5-methyl-2H-pyrazol-3-ylamine; demonstrate anti-proliferative activity, and may promote apoptosis in cells lacking normal regulation of cell cycle and death Valocor Therapeutics, Inc. (CA) 2011-01-25 US disclosed
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof DERMIRA (CANADA), INC. 2005-12-08 US 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 (9 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-20110237783-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS CDK4, CCNI, BCL2 PIM1 99/4885PIM3 134/4885PIM2 192/4885
US-20190270749-A1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN TK1, UACA, TDP1 PIM1 1520/4885PIM3 2667/4885PIM2 2197/4885
US-10323022-B2 Pyrrolidinyl urea, pyrrolidinyl thiourea and pyrrolidinyl guanidine compounds as TrkA kinase inhibitors RET, TK1, DSTYK PIM1 595/4885PIM3 1070/4885PIM2 866/4885
US-10160727-B2 Heterocycle and carbocycle derivatives having TrkA inhibitory activity NR5A2, NPY5R, MC5R PIM1 1349/4885PIM3 1263/4885PIM2 1603/4885
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof MKI67, CDK4, CCNC PIM1 86/4885PIM3 172/4885PIM2 179/4885
US-20170240512-A1 HETEROCYCLE AND CARBOCYCLE DERIVATIVES HAVING TRKA INHIBITORY ACTIVITY NR5A2, NPY5R, MC5R PIM1 1349/4885PIM3 1263/4885PIM2 1603/4885
US-10889589-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain TK1, UACA, TDP1 PIM1 1520/4885PIM3 2667/4885PIM2 2197/4885
US-20180334450-A1 PYRROLIDINYL UREA, PYRROLIDINYL THIOUREA AND PYRROLIDINYL GUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS RET, TK1, DSTYK PIM1 595/4885PIM3 1070/4885PIM2 866/4885
US-20170217936-A1 PYRROLIDINYL UREA, PYRROLIDINYL THIOUREA AND PYRROLIDINYL GUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS RET, TK1, DSTYK PIM1 595/4885PIM3 1070/4885PIM2 866/4885

“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.