SCHEMBL16002912

SCHEMBL16002912

CNC1CCN(C(=O)c2ccc3sc(C)nc3c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.56
▸ NPC1 O15118 3/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ SYK P43405 2/20 0.52
▸ LMNA P02545 3/20 0.51
▸ CHRNA7 P36544 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.47
▸ UBE2M P61081 4/20 0.46
▸ DCUN1D1 Q96GG9 4/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CHRM4 P08173 1/20 0.46
▸ TRPV1 Q8NER1 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ POLB P06746 1/20 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
SCHEMBL16002927 0.91 HPGD (0.69) HPGDNPC1RAB9ASMN1; SMN2SYK
SCHEMBL13826409 0.89 HPGD (0.54) HPGDNPC1RAB9ASMN1; SMN2SYK
SCHEMBL16003043 0.81 HPGD (0.54) HPGDNPC1RAB9ASYKALDH1A1
SCHEMBL31428937 0.81 HPGD (0.60) HPGDNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL16000504 0.80 HPGD (0.66) HPGDNPC1RAB9ASMN1; SMN2SYK
SCHEMBL13826454 0.77 HPGD (0.62) HPGDNPC1RAB9ASMN1; SMN2SYK
SCHEMBL31429074 0.76 NPC1 (0.57) HPGDNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL22542170 0.74 KMT2A (0.65) HPGDSMN1; SMN2LMNAALDH1A1
SCHEMBL14970147 0.74 HPGD (0.81) HPGDNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL408393 0.74 NPC1 (0.72) HPGDNPC1RAB9ALMNAALDH1A1

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 829/4885NPC1 3746/4885RAB9A 3957/4885

“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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