SCHEMBL10285457

SCHEMBL10285457

CCc1csc2ncccc12

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.40
MET P08581 1/20 0.40
ALDH1A1 P00352 1/20 0.38
KAT2B Q92831 6/20 0.37
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
LIMK1 P53667 1/20 0.36
POLB P06746 1/20 0.36
NPC1 O15118 1/20 0.35
HSP90AA1 P07900 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.35
COMT P21964 1/20 0.35

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
SCHEMBL2177157 0.81 CYP2A6 (0.52) HPGDMETKAT2BIKBKBCHUK
SCHEMBL19225673 0.81 MET (0.38) HPGDMETALDH1A1KAT2BLIMK1
SCHEMBL25030039 0.78 HTR2A (0.41) MET
SCHEMBL25029588 0.78 HTR2A (0.40) HPGDMETALDH1A1POLB
SCHEMBL25030279 0.76 HTR2A (0.46) HPGDMETALDH1A1KAT2BPOLB
SCHEMBL25030209 0.75 CHRNB2 (0.38) METHSP90AA1
SCHEMBL12334 0.75 NPC1 (0.43) KAT2BLIMK1NPC1HSP90AA1L3MBTL1
SCHEMBL25030128 0.74 HTR2A (0.39) MET
SCHEMBL10280663 0.73 LMNA (0.42) HPGDMETALDH1A1LIMK1POLB
SCHEMBL25029551 0.73 HTT (0.36) HPGDMETALDH1A1LMNA

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
US-9580430-B2 9H-pyrimido[4,5-B]indoles and related analogs as BET bromodomain inhibitors THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-02-28 US disclosed
US-8987269-B2 Certain triazolopyridines and triazolopyrazines, compositions thereof and methods of use therefor HUTCHISON MEDIPHARMA LIMITED (CN) 2015-03-24 US disclosed
US-20120264739-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR HUTCHISON MEDIPHARMA LIMITED (CN) 2012-10-18 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-20120264739-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR KCNJ11, NISCH, CYP4Z1 HPGD 328/4885MET 4578/4885ALDH1A1 337/4885

“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.