SCHEMBL10131089

SCHEMBL10131089

COc1ccc(C(=O)NC2CCN(C)CC2)nc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.46
KMT2A Q03164 1/20 0.43
PTK2 Q05397 3/20 0.43
AURKA O14965 2/20 0.43
CHEK1 O14757 1/20 0.43
IKBKB O14920 1/20 0.43
PAK4 O96013 1/20 0.43
CHEK2 O96017 1/20 0.43
ABL1 P00519 1/20 0.43
EGFR P00533 1/20 0.43
INSR P06213 1/20 0.43
LCK P06239 1/20 0.43
FGFR1 P11362 1/20 0.43
SELP P16109 1/20 0.43
CSNK2A2 P19784 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
MAPK1 P28482 1/20 0.43
AKT1 P31749 1/20 0.43
CSNK1D P48730 1/20 0.43

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
SCHEMBL10263897 0.84 SMYD3 (0.45) KMT2AAURKACHEK2MAPK1CSNK1D
SCHEMBL10131117 0.82 SSTR4 (0.39) SSTR4KMT2APTK2
SCHEMBL24148772 0.77 HSD11B1 (0.51) KMT2ACHEK2MAPK1CSNK1DAURKB
SCHEMBL30380486 0.77 HSD11B1 (0.51) KMT2ACHEK2MAPK1CSNK1DAURKB
SCHEMBL24151463 0.76 GRM5 (0.53) SSTR4CCNA2CDK2CHRNB2CHRNB4
SCHEMBL10112891 0.76 ALDH1A1 (0.50) KMT2AMAPK1
SCHEMBL4251854 0.74 PRKAB2 (0.49) SSTR4KMT2AAURKAAURKBCHRNB2
SCHEMBL20944673 0.73 KMT2A (0.58) KMT2ALCKLRRK2
SCHEMBL25690440 0.73 CHRNB2 (0.45) SSTR4CHEK2MAPK1CSNK1DAURKB
SCHEMBL17513670 0.73 CTSA (0.47) KMT2ANPC1CTSA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 US disclosed
US-8541572-B2 Compounds for the treatment of inflammatory disorders MERCK SHARP & DOHME CORP. (US) 2013-09-24 US disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 US disclosed
US-20120010181-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS MERCK SHARP & DOHME CORP. 2012-01-12 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-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 SSTR4 3449/4885KMT2A 4253/4885PTK2 2096/4885
US-20120010181-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 SSTR4 3157/4885KMT2A 4446/4885PTK2 2903/4885

“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.