SCHEMBL20169450

SCHEMBL20169450

Cc1ccc2ccc(Cc3ccc4cccnc4c3)nc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 3/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ CYP1A2 P05177 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NR4A2 P43354 1/20 0.40
▸ CYP3A4 P08684 2/20 0.39
▸ TP53 P04637 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ MET P08581 1/20 0.36
▸ PDE2A O00408 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
SCHEMBL21539921 0.80 PDE10A (0.60) PDE10AALDH1A1CYP1A2MEN1CASP1
SCHEMBL22472954 0.78 ALDH1A1 (0.58) PDE10AALDH1A1CYP1A2MEN1CASP1
SCHEMBL21364632 0.76 ALDH1A1 (0.51) PDE10AALDH1A1CYP1A2MEN1CASP1
SCHEMBL2752069 0.75 L3MBTL1 (0.51) PDE10AALDH1A1CYP1A2MEN1CASP1
SCHEMBL464410 0.74 ALDH1A1 (0.58) PDE10AALDH1A1CYP1A2MEN1CASP1
SCHEMBL18571844 0.73 ALDH1A1 (0.40) PDE10AALDH1A1CYP1A2MEN1CASP1
SCHEMBL2955790 0.71 CYP3A4 (0.59) PDE10AALDH1A1CYP1A2MEN1CASP1
SCHEMBL6114416 0.71 ALDH1A1 (0.55) PDE10AALDH1A1CYP1A2MEN1CASP1
SCHEMBL25301316 0.70 ALDH1A1 (0.46) PDE10AALDH1A1CYP1A2MEN1CASP1
SCHEMBL20173645 0.70 CYP1A2 (0.44) PDE10AALDH1A1CYP1A2RAB9AKLKB1

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-20200140436-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-05-07 — — US disclosed
US-9975891-B2 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-22 — — 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-20200140436-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 PDE10A 1610/4885ALDH1A1 3406/4885CYP1A2 1188/4885

“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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