SCHEMBL11917256

SCHEMBL11917256

Cc1ccc(NC(=O)Nc2ccc(Nc3nc(Nc4cc(C5CC5)[nH]n4)nc(-c4ccccc4)n3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NEK1 Q96PY6 1/20 0.48
▸ CCNA2 P20248 2/20 0.48
▸ CDK2 P24941 2/20 0.48
▸ CCNA1 P78396 2/20 0.48
▸ ULK1 O75385 1/20 0.48
▸ IGF1R P08069 8/20 0.47
▸ SRC P12931 2/20 0.46
▸ GSK3B P49841 1/20 0.46
▸ AURKB Q96GD4 1/20 0.46

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
SCHEMBL11917265 0.89 NEK1 (0.47) NEK1CCNA2CDK2CCNA1ULK1
SCHEMBL11917254 0.88 IGF1R (0.48) IGF1R
SCHEMBL11917257 0.86 AURKA (0.48) CCNA2CDK2CCNA1SRCGSK3B
SCHEMBL802688 0.81 IGF1R (0.63) NEK1CCNA2CDK2CCNA1ULK1
SCHEMBL11917244 0.80 IGF1R (0.46) CDK2IGF1R
SCHEMBL17525309 0.80 NEK1 (0.67) NEK1IGF1RSRCGSK3B
SCHEMBL16246886 0.78 IGF1R (0.61) IGF1R
SCHEMBL11916921 0.78 AURKA (0.49) NEK1CCNA2CDK2CCNA1IGF1R
SCHEMBL11917243 0.77 IGF1R (0.48) NEK1CCNA2CDK2CCNA1IGF1R
SCHEMBL17525325 0.77 NEK1 (0.82) NEK1IGF1RSRCGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202818-A1 UREIDOPHENYL SUBSTITUTED TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CALIFORNIA CAPITAL EQUITY, LLC (US) 2012-08-09 — — 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-20120202818-A1 UREIDOPHENYL SUBSTITUTED TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS UCK2, ULK2, ULK1 NEK1 96/4885CCNA2 1145/4885CDK2 207/4885

“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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