SCHEMBL5233252

SCHEMBL5233252

COc1ccc(CNc2ncnc(Cl)c2N)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.58
EGFR P00533 3/20 0.56
KDM4C Q9H3R0 1/20 0.56
POLB P06746 1/20 0.56
NR2F2 P24468 1/20 0.56
GALR3 O60755 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
PDE5A O76074 1/20 0.54
LMNA P02545 2/20 0.54
MAPT P10636 2/20 0.54
TP53 P04637 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
ALDH1A1 P00352 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
THRB P10828 1/20 0.52
RAB9A P51151 1/20 0.51
CDK1 P06493 3/20 0.51
CCNB2 O95067 2/20 0.51
CCNB1 P14635 2/20 0.51

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
SCHEMBL29634669 1.00 HTT (0.58) HTTEGFRKDM4CPOLBNR2F2
SCHEMBL11827284 0.83 STAT1 (0.62) HTTKDM4CPOLBGALR3MEN1
SCHEMBL16781105 0.82 LMNA (0.58) HTTEGFRPOLBNR2F2MEN1
SCHEMBL7746233 0.82 CNR1 (0.54) KDM4CGALR3MAPTALDH1A1RAB9A
SCHEMBL10873653 0.81 KDM4C (0.60) HTTEGFRKDM4CPOLBGALR3
SCHEMBL18786736 0.81 HTT (0.56) HTTEGFRPOLBNR2F2MEN1
SCHEMBL783719 0.81 KDM4C (0.72) HTTEGFRKDM4CNR2F2GALR3
SCHEMBL30983851 0.81 KDM4C (0.72) HTTEGFRKDM4CNR2F2GALR3
SCHEMBL20061544 0.81 AURKA (0.59) HTTEGFRPOLBNR2F2MEN1
SCHEMBL22307619 0.81 CYP1A2 (0.58) MEN1KMT2ALMNAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3514149-B1 HETEROCYCLIC AMIDE COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2022-05-18 EP disclosed
US-10774083-B2 Heterocyclic amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-09-15 US disclosed
US-20190241566-A1 HETEROCYCLIC AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-08 US disclosed
EP-3514149-A1 HETEROCYCLIC AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2019-07-24 EP disclosed
EP-3505171-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2019-07-03 EP disclosed
US-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-20 US disclosed
EP-1756113-B1 COMPOUNDS CONTAINING A N-HETEROARYL MOIETY LINKED TO FUSED RING MOIETIES FOR THE INHIBITION OF NAD(P)H OXIDASES AND PLATELET ACTIVATION VASOPHARM GMBH (DE) 2014-05-07 EP disclosed
US-8236809-B2 Substituted 1,2,3-triazolopyrimidines for the inhibition of NAD(P)H oxidases and platelet activation VASOPHARM GMBH (DE) 2012-08-07 US disclosed
US-20070203159-A1 Purine compounds UNIVERSITETET I OLSO (NO) 2007-08-30 US disclosed
US-20070203159-A1 Purine compounds UNIVERSITETET I OLSO (NO) 2007-08-30 US disclosed
US-7045529-B2 Imidazopyrimidinyl and imidazopyri dinyl derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-16 US disclosed
WO-2005111041-A1 COMPOUNDS CONTAINING A N-HETEROARYL MOIETY LINKED TO FUSED RING MOIETIES FOR THE INHIBITION OF NAD(P)H OXIDASES AND PLATELET ACTIVATION VASOPHARM BIOTECH GMBH (DE) 2005-11-24 WO disclosed
EP-1598354-A1 Compounds containing a N-heteroaryl moiety linked to fused ring moieties for the inhibition of NAD(P)H oxidases and platelet activation Vasopharm Biotech GmbH (DE) 2005-11-23 EP disclosed
US-20040229887-A1 Novel imidazopyrimidinyl and imidazopyri dinyl derivatives BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-11-18 US disclosed
EP-1244666-A1 IMIDAZOPYRIMIDINYL AND IMIDAZOPYRIDINYL DERIVATIVES Bristol-Myers Squibb Pharma Company (US) 2002-10-02 EP disclosed
WO-2001044248-A1 IMIDAZOPYRIMIDINYL AND IMIDAZOPYRIDINYL DERIVATIVES BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-06-21 WO disclosed
EP-0686631-B1 Pyrimidine derivatives and pharmaceutical compositions KUREHA CHEMICAL IND CO LTD (JP) 2001-01-17 EP disclosed
US-5585381-A HYPOTENSIVE AGENT AND ALSO TREATING KIDNEY RENAL DISEASE KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 1996-12-17 US disclosed
EP-0686631-A1 Pyrimidine derivatives and pharmaceutical composition Kureha Chemical Industry Co., Ltd. (JP) 1995-12-13 EP disclosed
EP-0206415-A2 (4-Piperidinylmethyl and -hetero)purines JANSSEN PHARMACEUTICA N.V. (BE) 1986-12-30 EP 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-20040229887-A1 Novel imidazopyrimidinyl and imidazopyri dinyl derivatives CRH, GPR119, CRHR1 HTT 99/4885EGFR 4453/4885KDM4C 4789/4885
US-20070203159-A1 Purine compounds PNP, UMPS, TYMP HTT 4116/4885EGFR 4753/4885KDM4C 2955/4885
US-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND PDE7B, PDE3A, PDE7A HTT 2778/4885EGFR 4709/4885KDM4C 797/4885
US-20190241566-A1 HETEROCYCLIC AMIDE COMPOUND PRSS8, PRSS1, PRSS2 HTT 1453/4885EGFR 4135/4885KDM4C 3850/4885
US-10774083-B2 Heterocyclic amide compound PRSS8, PRSS1, PRSS2 HTT 1453/4885EGFR 4135/4885KDM4C 3850/4885

“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.