SCHEMBL16307902

SCHEMBL16307902

COCCOc1ccc2nc(C)[nH]c2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CBFB Q13951 2/20 0.52
▸ MAOA P21397 1/20 0.51
▸ DYRK1A Q13627 1/20 0.51
▸ FGFR1 P11362 1/20 0.51
▸ FGFR2 P21802 1/20 0.51
▸ FGFR3 P22607 1/20 0.51
▸ ALDH1A1 P00352 4/20 0.49
▸ LMNA P02545 3/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ HPGD P15428 3/20 0.47
▸ HSD17B10 Q99714 4/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ NFKB1 P19838 1/20 0.45

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
SCHEMBL17702655 0.86 LMNA (0.52) CBFBFGFR1FGFR2FGFR3ALDH1A1
SCHEMBL16307904 0.85 PDE3B (0.53) MAOAALDH1A1LMNAMAPK1HIF1A
SCHEMBL12909170 0.83 ALDH1A1 (0.62) CBFBALDH1A1LMNAMAPK1HPGD
SCHEMBL29439014 0.80 KDM4E (0.61) ALDH1A1LMNAHPGDHSD17B10NPC1
SCHEMBL4371528 0.80 KDM4E (0.61) ALDH1A1LMNAHPGDHSD17B10NPC1
Hydrochloric Acid SCHEMBL27136415 0.78 RAD52 (0.53) CBFBMAOADYRK1ALMNAMAPK1
SCHEMBL5901798 0.77 ALDH1A1 (0.49) FGFR1FGFR2FGFR3ALDH1A1LMNA
SCHEMBL9529969 0.77 CYP3A4 (0.57) MAOAFGFR1FGFR2FGFR3ALDH1A1
SCHEMBL28426065 0.76 HRH4 (0.62) FGFR1FGFR2FGFR3NPC1RAB9A
SCHEMBL14224667 0.75 ACHE (0.67) MAOAFGFR1FGFR2FGFR3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2809668-B1 4-(BENZOIMIDAZOL-2-YL)-THIAZOLE COMPOUNDS AND RELATED AZA DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2017-04-12 — — EP disclosed
US-9266876-B2 4-(benzoimidazol-2-yl)-thiazole compounds and related aza derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-02-23 — — US disclosed
US-20140371204-A1 4-(Benzoimidazol-2-yl)-thiazole Compounds and Related Aza Derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2014-12-18 — — 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 (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-20140371204-A1 4-(Benzoimidazol-2-yl)-thiazole Compounds and Related Aza Derivatives CXCR3, CXCR1, CXCR2 CBFB 3540/4885MAOA 3766/4885DYRK1A 1712/4885

“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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