SCHEMBL3187486

SCHEMBL3187486

Nc1nc(Cl)cc(/C=C/c2ccccc2)n1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 8/20 0.66
▸ KDM4E B2RXH2 5/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ HPGD P15428 2/20 0.56
▸ HDAC6 Q9UBN7 1/20 0.56
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ HSP90AA1 P07900 2/20 0.50
▸ HSP90AB1 P08238 2/20 0.50
▸ DHFR P00374 1/20 0.49
▸ RAB9A P51151 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CYP19A1 P11511 2/20 0.43
▸ MAOA P21397 2/20 0.43
▸ MAOB P27338 2/20 0.43

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
SCHEMBL3187493 1.00 GRM4 (0.66) GRM4KDM4EALDH1A1HPGDHDAC6
SCHEMBL30488038 0.82 GRM4 (0.70) GRM4KDM4EALDH1A1HPGDHDAC6
SCHEMBL28603596 0.82 GRM4 (0.70) GRM4KDM4EALDH1A1HPGDHDAC6
SCHEMBL12484841 0.82 KDM4E (0.55) GRM4KDM4EALDH1A1HPGDHDAC6
SCHEMBL16597841 0.82 KDM4E (0.55) GRM4KDM4EALDH1A1HPGDHDAC6
SCHEMBL12484847 0.82 KDM4E (0.55) GRM4KDM4EALDH1A1HPGDHDAC6
SCHEMBL16597519 0.79 KDM4E (0.55) GRM4KDM4EALDH1A1HPGDHDAC6
SCHEMBL16597522 0.79 KDM4E (0.55) GRM4KDM4EALDH1A1HPGDHDAC6
SCHEMBL25204763 0.75 ALDH1A1 (0.48) GRM4KDM4EALDH1A1HPGDHDAC6
SCHEMBL21467358 0.75 ALDH1A1 (0.48) GRM4KDM4EALDH1A1HPGDHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100035863-A1 2 Amino-Pyrimidine Derivatives As H4 Receptor Antagonists, Processes For Preparing Them And Their Use In Pharmaceutical Compositions UCB PHARMA, S.A. (BE) 2010-02-11 — — US claimed
EP-2066645-A2 2 AMINO-PYRIMIDINE DERIVATIVES AS H4 RECEPTOR ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS UCB Pharma S.A. (BE) 2009-06-10 — — EP claimed
WO-2008031556-A2 2 AMINO-PYRIMIDINE DERIVATIVES AS H4 RECEPTOR ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS UCB PHARMA, S.A. (BE) 2008-03-20 — — WO claimed
US-20100035863-A1 2 Amino-Pyrimidine Derivatives As H4 Receptor Antagonists, Processes For Preparing Them And Their Use In Pharmaceutical Compositions UCB PHARMA, S.A. (BE) 2010-02-11 — — US disclosed
EP-2066645-A2 2 AMINO-PYRIMIDINE DERIVATIVES AS H4 RECEPTOR ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS UCB Pharma S.A. (BE) 2009-06-10 — — EP disclosed
WO-2008031556-A2 2 AMINO-PYRIMIDINE DERIVATIVES AS H4 RECEPTOR ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS UCB PHARMA, S.A. (BE) 2008-03-20 — — 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 (1 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-20100035863-A1 2 Amino-Pyrimidine Derivatives As H4 Receptor Antagonists, Processes For Preparing Them And Their Use In Pharmaceutical Compositions HRH4, HRH2, HRH3 GRM4 497/4885KDM4E 1873/4885ALDH1A1 1862/4885

“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.

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