SCHEMBL10140694

SCHEMBL10140694

COc1c(-c2ccc(Br)cc2)nn(C)c1C(C)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
NPSR1 Q6W5P4 3/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 2/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 2/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
AURKA O14965 1/20 0.36
PKM P14618 1/20 0.36
MDM2 Q00987 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
CSF1R P07333 1/20 0.35
FGFR1 P11362 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
SCHEMBL10140698 0.89 PTGDR2 (0.39) RAB9AMEN1KMT2ASMN1; SMN2PTGDR2
SCHEMBL7972107 0.87 RAB9A (0.45) MAPTRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL10140385 0.85 CSF1R (0.49) MAPTNPSR1MEN1KMT2ASMN1; SMN2
SCHEMBL10140466 0.83 HPGD (0.41) MAPTRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL10140757 0.79 PDE10A (0.41) MAPTHTTRAB9AMEN1KMT2A
SCHEMBL10140695 0.77 GRM5 (0.37) MAPTNPSR1HTTRAB9AMEN1
SCHEMBL10140470 0.76 KCNA3 (0.32) MAPTMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL10140710 0.75 TP53 (0.46) MAPTNPSR1MEN1KMT2ASMN1; SMN2
SCHEMBL10140871 0.75 MAPT (0.39) MAPTRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL10140393 0.75 TP53 (0.48) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1

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 MAPT 4510/4885NPSR1 3072/4885HTT 3243/4885

“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.