SCHEMBL3753220

SCHEMBL3753220

COCCNc1cc(Br)cc(C#N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 3/20 0.44
SMN1; SMN2 Q16637 5/20 0.35
ALDH1A1 P00352 6/20 0.35
GAA P10253 5/20 0.35
KDM4E B2RXH2 5/20 0.35
HPGD P15428 4/20 0.35
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
THRB P10828 2/20 0.33
TP53 P04637 2/20 0.33
PRKACA P17612 1/20 0.33
PRKACG P22612 1/20 0.33
PRKACB P22694 1/20 0.33
CTSK P43235 1/20 0.33
KCNH3 Q9ULD8 1/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 1/20 0.33
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
POLB P06746 1/20 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
SCHEMBL8055849 0.79 MEN1 (0.37) ALDH1A1GAAKDM4EHPGDTHRB
SCHEMBL15717884 0.75 EGLN2 (0.52) EGLN2SMN1; SMN2ALDH1A1GAAKDM4E
SCHEMBL4410714 0.72 TTR (0.39) ALDH1A1MAPT
SCHEMBL9948037 0.71 GRM5 (0.41) EGLN2ALDH1A1GAAKDM4EHPGD
SCHEMBL24896329 0.71 EGLN2 (0.51) EGLN2ALDH1A1GAAKDM4EHPGD
SCHEMBL21928897 0.70 DRD4 (0.46) ALDH1A1GAAKDM4EHPGDKCNH3
SCHEMBL3511324 0.70 GPR35 (0.47) EGLN2SMN1; SMN2ALDH1A1GAAHPGD
SCHEMBL29136362 0.69 KCNH3 (0.44) EGLN2SMN1; SMN2ALDH1A1GAAKDM4E
SCHEMBL849709 0.69 LMNA (0.38) EGLN2SMN1; SMN2ALDH1A1GAAKDM4E
SCHEMBL31313551 0.69 HTR7 (0.38) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150232429-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE 2015-08-20 US disclosed
US-9018205-B2 Substituted pyrimidinyl-amines as protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2015-04-28 US disclosed
EP-2200436-B1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS SCRIPPS RESEARCH INST (US) 2015-01-21 EP disclosed
US-8530480-B2 Substituted pyrimidinyl-amines as protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2013-09-10 US disclosed
US-20130231336-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2013-09-05 US disclosed
US-20100298312-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2010-11-25 US disclosed
EP-2200436-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS The Scripps Research Institute (US) 2010-06-30 EP disclosed
WO-2009032861-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2009-03-12 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 (3 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-20130231336-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 EGLN2 1971/4885SMN1; SMN2 3989/4885ALDH1A1 4097/4885
US-20100298312-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 EGLN2 1971/4885SMN1; SMN2 3989/4885ALDH1A1 4097/4885
US-20150232429-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 EGLN2 1971/4885SMN1; SMN2 3989/4885ALDH1A1 4097/4885

“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.