SCHEMBL9967152

SCHEMBL9967152

Cc1c[nH]c2ncnc(C)c12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 8/20 0.46
TRPA1 O75762 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.45
LIMK1 P53667 3/20 0.42
ROCK2 O75116 1/20 0.42
CHEK1 O14757 1/20 0.41
KHK P50053 1/20 0.40
KIT P10721 1/20 0.40
BRAF P15056 1/20 0.40
TNNI3K Q59H18 1/20 0.40
HSP90AB1 P08238 1/20 0.38
STK4 Q13043 1/20 0.37
STK3 Q13188 1/20 0.37
LRRK2 Q5S007 1/20 0.37

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
SCHEMBL19533409 0.84 AKT1 (0.39) AKT1TRPA1IRAK4LIMK1ROCK2
SCHEMBL14649091 0.81 TRPA1 (0.44) AKT1TRPA1IRAK4CHEK1BRAF
SCHEMBL10259826 0.81 AKT1 (0.45) AKT1TRPA1IRAK4LIMK1ROCK2
SCHEMBL19306619 0.79 BRAF (0.41) AKT1TRPA1IRAK4CHEK1BRAF
SCHEMBL21620551 0.79 CHEK1 (0.47) AKT1TRPA1CHEK1BRAFTNNI3K
SCHEMBL2537071 0.79 CHEK1 (0.61) AKT1TRPA1IRAK4LIMK1ROCK2
SCHEMBL20171693 0.79 CHEK1 (0.47) AKT1TRPA1IRAK4LIMK1ROCK2
SCHEMBL357993 0.79 CHEK1 (0.61) AKT1TRPA1IRAK4LIMK1ROCK2
SCHEMBL1804027 0.79 AKT1 (0.44) AKT1TRPA1IRAK4LIMK1ROCK2
SCHEMBL25528119 0.79 AKT1 (0.41) AKT1TRPA1IRAK4LIMK1ROCK2

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-20230285397-A1 EGFR INHIBITOR TAIHO PHARMACEUTICAL CO., LTD. (JP) 2023-09-14 US disclosed
US-20230255972-A1 PYRIMIDINE COMPOUND-CONTAINING COMBINATION TO BE USED IN TUMOR TREATMENT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2023-08-17 US disclosed
WO-2023102228-A1 HETEROCYCLIC COMPOPUNDS AS GCN2 AND PERK KINASE INHIBITORS DECIPHERA PHARMACEUTICALS, LLC (US) 2023-06-08 WO disclosed
WO-2023020640-A1 7-SUBSTITUTED 7-DEAZAADENINE-CONTAINING 2',3'-CYCLIC DINUCLEOTIDES USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V. V. I. (CZ) 2023-02-23 WO disclosed
US-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 US disclosed
WO-2020065613-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 WO disclosed
EP-2427195-B1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE LLC (US) 2019-05-01 EP disclosed
EP-2922596-B1 HETEROCYCLYL CARBOXAMIDES FOR TREATING VIRAL DISEASES NOVADRUG LLC (US) 2018-05-23 EP disclosed
WO-2017201187-A1 LIM KINASE INHIBITORS VIRONGY, LLC (US) 2017-11-23 WO disclosed
EP-3077395-B1 PYRROLO[2,3-D]PYRIMIDINYL, PYRROLO[2,3-B]PYRAZINYL AND PYRROLO[2,3-D]PYRIDINYL ACRYLAMIDES PFIZER (US) 2017-11-15 EP disclosed
US-9682083-B2 Pyrrolo[2,3-D]pyrimidine derivatives, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2017-06-20 US disclosed
WO-2017027645-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-02-16 WO disclosed
WO-2017027646-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-02-16 WO disclosed
US-9511070-B2 Heterocyclyl carboxamides for treating viral diseases NOVADRUG, LLC (US) 2016-12-06 US disclosed
US-20160166575-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2016-06-16 US disclosed
US-20150238489-A1 HETEROCYCLYL CARBOXAMIDES FOR TREATING VIRAL DISEASES NOVADRUG, LLC 2015-08-27 US disclosed
US-8993756-B2 Pyrrolopyrimidines as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-31 US disclosed
US-20140349998-A1 PYRROLOPYRIMIDINES AS JANUS KINASE INHIITORS MERCK SHARP & DOHME CORP. (US) 2014-11-27 US disclosed
WO-2012080735-A1 ASK1 INHIBITING PYRROLOPYRIMIDINE DERIVATIVES Convergence Pharmaceuticals Limited (GB) 2012-06-21 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-20140349998-A1 PYRROLOPYRIMIDINES AS JANUS KINASE INHIITORS JAK3, JAK1, JAK2 AKT1 1859/4885TRPA1 4008/4885IRAK4 29/4885
US-20160166575-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS RET, DCK, PRKD2 AKT1 131/4885TRPA1 4815/4885IRAK4 648/4885
US-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP AKT1 2136/4885TRPA1 1604/4885IRAK4 1827/4885
US-20230285397-A1 EGFR INHIBITOR EGFR, ERBB2, ERBB4 AKT1 90/4885TRPA1 2035/4885IRAK4 1321/4885
US-20230255972-A1 PYRIMIDINE COMPOUND-CONTAINING COMBINATION TO BE USED IN TUMOR TREATMENT TYMP, DPYD, TYMS AKT1 1260/4885TRPA1 3557/4885IRAK4 4195/4885
US-20150238489-A1 HETEROCYCLYL CARBOXAMIDES FOR TREATING VIRAL DISEASES SARS1, PYCARD, BRD1 AKT1 4352/4885TRPA1 1091/4885IRAK4 1851/4885

“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.