SCHEMBL18074114

SCHEMBL18074114

COc1ccc(CNc2ccc(Nc3ncc(Cl)c(-c4cn(-c5ccccc5)c5ccccc45)n3)cc2[N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 13/20 0.43
▸ CDK7 P50613 2/20 0.41
▸ CCNH P51946 2/20 0.41
▸ CCNT1 O60563 1/20 0.41
▸ CDK9 P50750 1/20 0.41
▸ MNAT1 P51948 1/20 0.41
▸ MAPT P10636 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MAPK9 P45984 1/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ PRKCQ Q04759 1/20 0.37

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
SCHEMBL16665584 0.90 HTR6 (0.48) EGFRMAPT
SCHEMBL18074115 0.88 CDK7 (0.43) EGFRCDK7CCNHCCNT1CDK9
SCHEMBL18074116 0.81 CDK9 (0.48) EGFRCDK7CCNHCCNT1CDK9
SCHEMBL16665634 0.79 HTR6 (0.50) EGFR
SCHEMBL18074117 0.74 TSHR (0.44) EGFRCDK7CCNHMAPTNPSR1
SCHEMBL16655389 0.71 EGFR (0.48) EGFRCCNT1CDK9
SCHEMBL18074097 0.70 CDK7 (0.56) EGFRCDK7CCNHCCNT1CDK9
SCHEMBL17373137 0.68 EGFR (0.55) EGFR
SCHEMBL14661011 0.67 EGFR (0.55) EGFR
SCHEMBL18069822 0.67 CDK7 (0.54) EGFRCDK7CCNHCCNT1CDK9

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-20160264552-A1 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES SYROS PHARMACEUTICALS INC (US) 2016-09-15 — — 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-20160264552-A1 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES CDK7, CDK6, CDK3 EGFR 3410/4885CDK7 1/4885CCNH 32/4885

“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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