SCHEMBL11957643

SCHEMBL11957643

CC(C)Nc1cccc(C#N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.50
KCNJ11 Q14654 1/20 0.50
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
CTSK P43235 1/20 0.50
ALDH1A1 P00352 3/20 0.49
MAPT P10636 2/20 0.49
TDP1 Q9NUW8 2/20 0.48
KMT2A Q03164 2/20 0.47
IDO1 P14902 1/20 0.47
MEN1 O00255 1/20 0.47
KCNA5 P22460 1/20 0.46
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
GLA P06280 1/20 0.42
TSHR P16473 2/20 0.42

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
SCHEMBL19968729 0.81 ADAMTS4 (0.48) ABCC9KCNJ11ALDH1A1TDP1CYP3A4
SCHEMBL20615103 0.81 ABCB1 (0.48) ABCC9KCNJ11CTSLCTSBALDH1A1
SCHEMBL18297525 0.81 TDP1 (0.48) ALDH1A1MAPTTDP1KMT2AIDO1
SCHEMBL7406589 0.80 KMT2A (0.51) ABCC9KCNJ11CTSLCTSBCTSK
SCHEMBL1796491 0.80 KMT2A (0.51) ABCC9KCNJ11CTSLCTSBCTSK
SCHEMBL1796490 0.80 KMT2A (0.51) ABCC9KCNJ11CTSLCTSBCTSK
SCHEMBL913314 0.80 CTSL (0.47) ABCC9KCNJ11CTSLCTSBCTSK
SCHEMBL9313156 0.79 TDP1 (0.67) ALDH1A1MAPTTDP1KMT2AMEN1
SCHEMBL361389 0.78 MAPT (0.53) ABCC9KCNJ11ALDH1A1MAPTKMT2A
SCHEMBL11058918 0.77 CTSL (0.60) ABCC9KCNJ11CTSLCTSBCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108698992-A 2- cyano isoindoline derivatives for treating cancer 特殊治疗有限公司 2018-10-23 CN claimed
US-20230234955-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS ARRAY BIOPHARMA INC (US) 2023-07-27 US disclosed
US-10774085-B2 Method of treatment using substituted pyrazolo[1,5-A] pyrimidine compounds ARRAY BIOPHARMA INC. (US) 2020-09-15 US disclosed
WO-2019170086-A1 ACYL-SUBSTITUTED OXAZINO-QUINAZOLINE COMPOUND, PREPARATION METHOD THEREFOR, AND USES THEREOF 北京赛特明强医药科技有限公司 2019-09-12 WO disclosed
US-20190211017-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS ARRAY BIOPHARMA INC. 2019-07-11 US disclosed
CN-108698992-A 2- cyano isoindoline derivatives for treating cancer 特殊治疗有限公司 2018-10-23 CN disclosed
US-10011604-B2 Method of treatment using substituted imidazo[1,2b]pyridazine compounds ARRAY BIOPHARMA, INC. (US) 2018-07-03 US disclosed
US-10005783-B2 Method of treatment using substituted pyrazolo[1,5-a] pyrimidine compounds ARRAY BIOPHARMA INC. (US) 2018-06-26 US disclosed
US-10005783-B2 Method of treatment using substituted pyrazolo[1,5-a] pyrimidine compounds ARRAY BIOPHARMA INC. (US) 2018-06-26 US disclosed
US-20180127427-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS ARRAY BIOPHARMA INC. 2018-05-10 US disclosed
US-20110195948-A1 Substituted Pyrazolo[1,5-a]Pyrimidine Compounds as TRK Kinase Inhibitors ARRAY BIOPHARMA INC. (US) 2011-08-11 US disclosed
US-20110166122-A1 SUBSTITUTED IMIDAZO[1,2b]PYRIDAZINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2011-07-07 US disclosed
US-20100190774-A1 INHIBITORS OF C-MET AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-29 US disclosed
US-7728017-B2 Inhibitors of c-Met and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-01 US disclosed
US-7728017-B2 Inhibitors of c-Met and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-01 US disclosed
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 US disclosed
US-20090131453-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-05-21 US disclosed
US-20090054456-A1 BENZYLPIPERAZINE DERIVATIVES AND THEIR MEDICAL USE GLAXO GROUP LIMITED (GB) 2009-02-26 US disclosed
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 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 (12 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-10011604-B2 Method of treatment using substituted imidazo[1,2b]pyridazine compounds COL2A1, COL1A1, IFNAR1 ABCC9 3589/4885KCNJ11 1502/4885CTSL 854/4885
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES JAK1, JAK2, JAK3 ABCC9 4209/4885KCNJ11 3088/4885CTSL 3608/4885
US-20090054456-A1 BENZYLPIPERAZINE DERIVATIVES AND THEIR MEDICAL USE GPR68, GPR88, GPR55 ABCC9 2616/4885KCNJ11 559/4885CTSL 3474/4885
US-20110195948-A1 Substituted Pyrazolo[1,5-a]Pyrimidine Compounds as TRK Kinase Inhibitors PDXK, DTYMK, TNNI3K ABCC9 3180/4885KCNJ11 1714/4885CTSL 4344/4885
US-20180127427-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS TYMP, TYMS, P2RX7 ABCC9 1418/4885KCNJ11 1514/4885CTSL 487/4885
US-20190211017-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS TYMP, TYMS, P2RX7 ABCC9 1418/4885KCNJ11 1514/4885CTSL 487/4885
US-10005783-B2 Method of treatment using substituted pyrazolo[1,5-a] pyrimidine compounds TYMP, TYMS, P2RX7 ABCC9 1418/4885KCNJ11 1514/4885CTSL 487/4885
US-20090131453-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GPR68, GPR52, GPR88 ABCC9 1877/4885KCNJ11 912/4885CTSL 3425/4885
US-20100190774-A1 INHIBITORS OF C-MET AND USES THEREOF MET, HGF, ABL1 ABCC9 3661/4885KCNJ11 4691/4885CTSL 994/4885
US-20110166122-A1 SUBSTITUTED IMIDAZO[1,2b]PYRIDAZINE COMPOUNDS AS TRK KINASE INHIBITORS NTRK1, NTRK3, NTRK2 ABCC9 4176/4885KCNJ11 1718/4885CTSL 4677/4885
US-20230234955-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS TYMP, TYMS, TK1 ABCC9 940/4885KCNJ11 1144/4885CTSL 840/4885
US-10774085-B2 Method of treatment using substituted pyrazolo[1,5-A] pyrimidine compounds TYMP, TYMS, P2RX7 ABCC9 1418/4885KCNJ11 1514/4885CTSL 487/4885

“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.