SCHEMBL3138229

SCHEMBL3138229

CCOC(=O)c1c[nH]c(C(N)=O)c1C

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 2/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.46
CLEC4M Q9H2X3 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
CYP2C9 P11712 1/20 0.42
JAK2 O60674 1/20 0.42
JAK3 P52333 1/20 0.42
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42

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
SCHEMBL1752519 0.88 GRM1 (0.59) GRM1MEN1KMT2AALDH1A1TSHR
SCHEMBL12529489 0.85 GRM1 (0.53) GRM1MEN1KMT2AALDH1A1TSHR
SCHEMBL6082830 0.79 TSHR (0.52) MEN1KMT2AALDH1A1TSHRCLEC4M
SCHEMBL10090785 0.78 GRM1 (0.53) GRM1MEN1KMT2AALDH1A1TSHR
SCHEMBL8198680 0.78 GRM1 (0.53) GRM1MEN1KMT2AALDH1A1TSHR
SCHEMBL1493615 0.78 ALDH1A1 (0.49) GRM1MEN1KMT2AALDH1A1TSHR
SCHEMBL10937858 0.77 TSHR (0.51) GRM1KMT2AALDH1A1TSHRCLEC4M
SCHEMBL4488854 0.77 JAK2 (0.54) MEN1KMT2AALDH1A1TSHRCLEC4M
SCHEMBL7116182 0.77 CCNC (0.47) MEN1KMT2AALDH1A1GABRA1GABRB2
SCHEMBL1156930 0.76 GABRA1 (0.50) GRM1MEN1KMT2AALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642257-B2 Phenyl-aniline substituted bicyclic compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-05 US disclosed
US-7419978-B2 Phenyl-aniline substituted bicyclic compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-02 US disclosed
US-20080167304-A1 PHENYL-ANILINE SUBSTITUTED BICYCLIC COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-07-10 US disclosed
US-20050143398-A1 Phenyl-aniline substituted bicyclic compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-06-30 US disclosed
WO-2005042537-A1 PHENYL-ANILINE SUBSTITUTED BICYCLIC COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-05-12 WO 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-20080167304-A1 PHENYL-ANILINE SUBSTITUTED BICYCLIC COMPOUNDS USEFUL AS KINASE INHIBITORS MAP4K2, MAP3K19, MAP3K1 GRM1 1786/4885MEN1 2648/4885KMT2A 391/4885
US-20050143398-A1 Phenyl-aniline substituted bicyclic compounds useful as kinase inhibitors MAP4K2, MAP3K19, MAP3K1 GRM1 1786/4885MEN1 2648/4885KMT2A 391/4885

“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.