SCHEMBL2441479

SCHEMBL2441479

COc1cc(-c2cc3cccnc3[nH]2)cc(OC)c1O

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 19/20 0.76
CCNB2 O95067 1/20 0.64
CDK1 P06493 1/20 0.64
CCNB1 P14635 1/20 0.64
CCNB3 Q8WWL7 1/20 0.64
IGF1R P08069 1/20 0.52

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
SCHEMBL12606356 0.87 RIPK1 (0.70) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL31064964 0.86 RIPK1 (1.00) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL6286704 0.78 RIPK1 (0.69) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL1778522 0.78 RIPK1 (1.00) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL31710670 0.78 RIPK1 (0.61) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL31064954 0.78 RIPK1 (1.00) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL5716685 0.78 RIPK1 (0.68) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL27889519 0.77 CCNB2 (0.68) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL22291215 0.77 AMY1A (0.54) RIPK1
SCHEMBL11531018 0.77 MAPT (0.60) RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859581-B2 Azaheterocyclic compounds as kinase inhibitors MERCK PATENT GMBH (DE) 2014-10-14 US disclosed
EP-1874769-B1 NOVEL AZA- HETEROCYCLES SERVING AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-09-14 EP disclosed
US-20080176892-A1 Anticancer agents; synergistic use; regulate and/or modulate tyrosine kinase signal transduction particularly an IGF-R1-inhibiting action; 3-[2-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-ylamino]benzonitrile; reaction with arylsilylacetylene MERCK PATENT GMBH (DE) 2008-07-24 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-20080176892-A1 Anticancer agents; synergistic use; regulate and/or modulate tyrosine kinase signal transduction particularly an IGF-R1-inhibiting action; 3-[2-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-ylamino]benzonitrile; reaction with arylsilylacetylene IGF1R, IGFBP1, ERBB2 RIPK1 598/4885CCNB2 693/4885CDK1 99/4885

“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.