SCHEMBL3624362

SCHEMBL3624362

C#CCN(c1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1)S(C)(=O)=O.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.57

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 known ✓ P52333 12/20 0.57
JAK2 O60674 20/20 0.57
JAK1 P23458 6/20 0.52
TYK2 P29597 4/20 0.52
HDAC1 Q13547 3/20 0.52
BMPR1B O00238 1/20 0.52
PLK4 O00444 1/20 0.52
CIT O14578 1/20 0.52
GAK O14976 1/20 0.52
OPA1 O60313 1/20 0.52
ROCK2 O75116 1/20 0.52
STK16 O75716 1/20 0.52
PRKD3 O94806 1/20 0.52
CSNK2A2 P19784 1/20 0.52
CDK2 P24941 1/20 0.52
MARK3 P27448 1/20 0.52
BMPR1A P36894 1/20 0.52
TGFBR1 P36897 1/20 0.52
STAT3 P40763 1/20 0.52
STAT5A P42229 1/20 0.52

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
SCHEMBL13226367 0.92 JAK2 (0.67) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL3626524 0.84 JAK2 (0.68) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL4375237 0.78 JAK2 (0.81) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL3521591 0.74 JAK2 (1.00) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL4378030 0.74 JAK2 (1.00) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL3625643 0.74 JAK2 (0.56) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL4388675 0.74 JAK2 (0.73) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL30051242 0.74 JAK2 (0.67) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL2857200 0.74 JAK2 (0.67) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL26192202 0.74 JAK2 (0.83) JAK2JAK3JAK1TYK2HDAC1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220388967-A1 Phenyl Amino Pyrimidine Compounds and Uses Thereof SIERRA ONCOLOGY, INC. (US) 2022-12-08 US claimed
EP-3023422-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF YM BioSciences Australia Pty Ltd (AU) 2016-05-25 EP claimed
US-9233934-B2 Phenyl amino pyrimidine compounds and uses thereof YM BIOSCIENCES AUSTRALIA PTY LTD (US) 2016-01-12 US claimed
EP-2152701-B1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF YM BIOSCIENCES AUSTRALIA PTY (AU) 2015-11-11 EP claimed
US-20140011803-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE LLC 2014-01-09 US claimed
US-20140005180-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE LLC 2014-01-02 US claimed
US-20100197671-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE LLC 2010-08-05 US claimed
US-12570614-B2 Phenyl amino pyrimidine compounds and uses thereof GLAXOSMITH KLINE LLC (US) 2026-03-10 US disclosed
US-20220388967-A1 Phenyl Amino Pyrimidine Compounds and Uses Thereof SIERRA ONCOLOGY, INC. (US) 2022-12-08 US disclosed
EP-3023422-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF YM BioSciences Australia Pty Ltd (AU) 2016-05-25 EP disclosed
US-8486941-B2 Phenyl amino pyrimidine compounds and uses thereof YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2013-07-16 US disclosed
US-20100197671-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE LLC 2010-08-05 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 (5 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-20100197671-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF JAK2, JAK1, JAK3 JAK3 3/4885JAK2 1/4885JAK1 2/4885
US-12570614-B2 Phenyl amino pyrimidine compounds and uses thereof JAK1, JAK2, JAK3 JAK3 3/4885JAK2 2/4885JAK1 1/4885
US-20140011803-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF JAK2, JAK1, JAK3 JAK3 3/4885JAK2 1/4885JAK1 2/4885
US-20220388967-A1 Phenyl Amino Pyrimidine Compounds and Uses Thereof JAK2, JAK1, JAK3 JAK3 3/4885JAK2 1/4885JAK1 2/4885
US-20140005180-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF JAK2, JAK1, JAK3 JAK3 3/4885JAK2 1/4885JAK1 2/4885

“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.