SCHEMBL16000504

SCHEMBL16000504

Cc1nc2ccc(C(=O)N3CCC(NC(C)C)CC3)cc2s1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.66
▸ ALDH1A1 P00352 2/20 0.56
▸ CYP2D6 P10635 2/20 0.54
▸ CYP2C9 P11712 2/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ MAPK1 P28482 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ RAB9A P51151 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ SYK P43405 1/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ CHRNA7 P36544 1/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ TSHR P16473 1/20 0.47

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
SCHEMBL13826409 0.91 HPGD (0.54) HPGDALDH1A1CYP2D6CYP2C9CYP1A2
SCHEMBL16002927 0.89 HPGD (0.69) HPGDALDH1A1CYP2D6CYP2C9CYP1A2
SCHEMBL14970147 0.84 HPGD (0.81) HPGDALDH1A1CYP2D6CYP2C9CYP1A2
SCHEMBL13826454 0.84 HPGD (0.62) HPGDALDH1A1CYP2D6CYP2C9CYP1A2
SCHEMBL12963767 0.83 HPGD (0.79) HPGDALDH1A1MAPK1LMNARAB9A
SCHEMBL13826661 0.81 HPGD (0.52) HPGDALDH1A1RAB9ASYKHSD17B10
SCHEMBL16002912 0.80 HPGD (0.56) HPGDALDH1A1CYP2D6CYP2C9CYP1A2
SCHEMBL10049918 0.79 HPGD (0.75) HPGDALDH1A1LMNAMEN1KMT2A
SCHEMBL22242615 0.77 HPGD (0.61) HPGDALDH1A1CYP2D6CYP2C9CYP1A2
SCHEMBL16000517 0.76 DPP4 (0.54) HPGDLMNARAB9ANPC1SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9145391-B2 Bipyridylaminopyridines as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2015-09-29 — — US disclosed
US-20140249130-A1 BIPYRIDYLAMINOPYRIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2014-09-04 — — 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-20140249130-A1 BIPYRIDYLAMINOPYRIDINES AS SYK INHIBITORS SYK, BTK, LCK HPGD 829/4885ALDH1A1 1515/4885CYP2D6 464/4885

“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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