SCHEMBL18122086

SCHEMBL18122086

Cc1ccn2nc(C)c(F)c2n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 4/20 0.43
▸ PTGS2 P35354 1/20 0.42
▸ DPP4 P27487 5/20 0.34
▸ FAP Q12884 5/20 0.34
▸ DPP8 Q6V1X1 5/20 0.34
▸ TYK2 P29597 1/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ MAPT P10636 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL31001801 0.81 KDM4E (0.35) HTR6NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL18120359 0.80 HTR6 (0.33) HTR6PTGS2NPC1RAB9AMAPT
SCHEMBL23047161 0.80 PDE10A (0.44) HTR6PTGS2NPC1RAB9AMAPT
SCHEMBL21033308 0.76 HTR6 (0.41) HTR6PTGS2TYK2ALDH1A1HPGD
SCHEMBL31001747 0.76 TGFBR1 (0.31) —
SCHEMBL31001899 0.76 KMT2A (0.33) HTR6PTGS2SMN1; SMN2PDE10A
SCHEMBL15306534 0.74 HTR6 (0.38) HTR6PTGS2NPC1RAB9AMAPT
SCHEMBL21001663 0.73 KDM4E (0.45) HTR6PTGS2TYK2RAB9AMAPT
SCHEMBL21033150 0.73 HTR6 (0.39) HTR6PTGS2DPP4FAPDPP8
SCHEMBL24066067 0.73 HTR6 (0.36) HTR6PTGS2TYK2

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-9790169-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-17 — — US disclosed
US-20170231999-A1 IDO INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-08-17 — — US disclosed
US-20160289171-A1 IDO INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2016-10-06 — — 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 (2 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-20170231999-A1 IDO INHIBITORS IDO1, IDO2, INMT HTR6 387/4885PTGS2 323/4885DPP4 315/4885
US-20160289171-A1 IDO INHIBITORS IDO1, IDO2, INMT HTR6 387/4885PTGS2 323/4885DPP4 315/4885

“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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