SCHEMBL10140757

SCHEMBL10140757

COc1c(-c2ccc(Cl)nc2)nn(C)c1C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.41
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
CHEK1 O14757 1/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
PKM P14618 1/20 0.33
MDM2 Q00987 1/20 0.33
KMO O15229 1/20 0.33
PIK3CD O00329 1/20 0.33
NAPRT Q6XQN6 1/20 0.33
KCNQ3 O43525 1/20 0.32
KCNQ2 O43526 1/20 0.32
ATM Q13315 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32

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
SCHEMBL10140760 0.90 KMO (0.41) PDE10AALDH1A1KDM4EHPGDHTT
SCHEMBL10173134 0.84 JMJD6 (0.44) ALDH1A1KDM4EHPGDHTTPKM
SCHEMBL10140694 0.79 MAPT (0.38) ALDH1A1HPGDHTTMEN1KMT2A
SCHEMBL10140385 0.78 CSF1R (0.49) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL30111779 0.70 PDE10A (0.39) PDE10AALDH1A1KDM4EHPGDHTT
SCHEMBL28906165 0.70 PDE10A (0.39) PDE10AALDH1A1KDM4EHPGDHTT
SCHEMBL10140470 0.70 KCNA3 (0.32) ALDH1A1HPGDMEN1KMT2APKM
SCHEMBL10140756 0.69 MEN1 (0.38) PDE10AALDH1A1KDM4EHPGDHTT
SCHEMBL10140710 0.69 TP53 (0.46) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL10140871 0.69 MAPT (0.39) ALDH1A1KDM4EHPGDMEN1KMT2A

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-8148363-B2 Heterocyclic compounds as factor IXA inhibitors SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-17 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-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS F9, F12, F8 PDE10A 904/4885ALDH1A1 1022/4885KDM4E 1387/4885

“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.