SCHEMBL18764064

SCHEMBL18764064

Fc1cccnc1-c1ccc2[nH]c(-c3ncccc3F)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CBFB Q13951 3/20 0.55
▸ PDE10A Q9Y233 1/20 0.49
▸ TRPV1 Q8NER1 4/20 0.48
▸ KDM4E B2RXH2 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ NPC1 O15118 5/20 0.41
▸ RAB9A P51151 5/20 0.41
▸ PKM P14618 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL124418 0.84 CBFB (0.54) CBFBPDE10ATRPV1KDM4EALDH1A1
SCHEMBL12943824 0.81 CBFB (0.51) CBFBPDE10ATRPV1KDM4EALDH1A1
SCHEMBL179102 0.79 CBFB (0.82) CBFBPDE10ATRPV1RUNX1
SCHEMBL14892096 0.79 ALDH1A1 (0.51) PDE10AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL18764050 0.77 PDE10A (0.86) PDE10A
SCHEMBL6925861 0.72 GLO1 (0.47) CBFBALDH1A1PKMSMN1; SMN2KMT2A
SCHEMBL7496513 0.70 CYP17A1 (0.47) KDM4EALDH1A1CYP1A2HSD17B10NPC1
SCHEMBL13866553 0.70 NPC1 (0.74) CBFBKDM4EHPGDNPC1RAB9A
SCHEMBL5307913 0.70 PRMT1 (0.45) NPC1RAB9AKMT2AMEN1
SCHEMBL125119 0.70 CBFB (0.49) CBFBTRPV1KDM4EALDH1A1HPGD

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-10138245-B2 Fused triazole derivatives as phosphodiesterase 10A inhibitors CELON PHARMA S.A. (PL) 2018-11-27 — — US disclosed
US-20170114064-A1 FUSED TRIAZOLE DERIVATIVES AS PHOSPHODIESTERASE 10A INHIBITORS CELON PHARMA S.A. (PL) 2017-04-27 — — 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-10138245-B2 Fused triazole derivatives as phosphodiesterase 10A inhibitors PDE3B, PDE3A, PDE5A CBFB 1614/4885PDE10A 7/4885TRPV1 3635/4885
US-20170114064-A1 FUSED TRIAZOLE DERIVATIVES AS PHOSPHODIESTERASE 10A INHIBITORS PDE3B, PDE3A, PDE5A CBFB 1614/4885PDE10A 7/4885TRPV1 3635/4885

“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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