SCHEMBL13649008

SCHEMBL13649008

OC[C@H](Nc1nc(Cl)ncc1Br)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 2/20 0.47
▸ EGFR P00533 10/20 0.47
▸ IDO1 P14902 1/20 0.42
▸ TDO2 P48775 1/20 0.42
▸ CCNC P24863 1/20 0.41
▸ CDK8 P49336 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ AURKA O14965 2/20 0.40
▸ RPS6KB1 P23443 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL30930020 1.00 NTRK1 (0.47) NTRK1EGFRIDO1TDO2CCNC
SCHEMBL13649055 0.90 EGFR (0.44) NTRK1EGFRCDK8RPS6KB1MEN1
SCHEMBL14662047 0.86 EGFR (0.46) NTRK1EGFRCCNCCDK8LMNA
SCHEMBL14662045 0.86 EGFR (0.46) NTRK1EGFRCCNCCDK8LMNA
SCHEMBL14670573 0.86 EGFR (0.46) NTRK1EGFRCCNCCDK8LMNA
SCHEMBL14670665 0.84 EGFR (0.45) NTRK1EGFRCCNCCDK8LMNA
SCHEMBL14670658 0.84 EGFR (0.45) NTRK1EGFRCCNCCDK8LMNA
SCHEMBL14670585 0.84 USP1 (0.51) EGFRCCNCCDK8LMNAHPGD
SCHEMBL30930030 0.84 USP1 (0.51) EGFRCCNCCDK8LMNAHPGD
SCHEMBL14670663 0.84 USP1 (0.51) EGFRCCNCCDK8LMNAHPGD

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-7598260-B2 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-06 — — US disclosed
US-7598260-B2 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-06 — — US disclosed
US-20080039447-A1 CDK-Inhibitory pyrimidines, their production and use as pharmaceutical agents BRUMBY THOMAS 2008-02-14 — — US disclosed
US-20080039447-A1 CDK-Inhibitory pyrimidines, their production and use as pharmaceutical agents BRUMBY THOMAS 2008-02-14 — — US disclosed
US-7291624-B2 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AG (DE) 2007-11-06 — — US disclosed
US-7291624-B2 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AG (DE) 2007-11-06 — — US disclosed
US-7235561-B2 Compound and a composition including such a compound SCHERING AG (DE) 2007-06-26 — — US disclosed
US-7235561-B2 Compound and a composition including such a compound SCHERING AG (DE) 2007-06-26 — — 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-20080039447-A1 CDK-Inhibitory pyrimidines, their production and use as pharmaceutical agents CDK2, CDK1, CDK6 NTRK1 4205/4885EGFR 1447/4885IDO1 2404/4885

“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.

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