SCHEMBL18074115

SCHEMBL18074115

COc1ccc(CNc2ccc(Nc3ncc(Cl)c(-c4cn(-c5ccccc5)c5ccccc45)n3)cc2N)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 2/20 0.43
▸ CCNH P51946 2/20 0.43
▸ CCNT1 O60563 1/20 0.43
▸ CDK9 P50750 1/20 0.43
▸ MNAT1 P51948 1/20 0.43
▸ EGFR P00533 11/20 0.43
▸ NCF1 P14598 1/20 0.41
▸ MAPK9 P45984 1/20 0.40
▸ MAPK10 P53779 1/20 0.40
▸ JAK3 P52333 1/20 0.38
▸ APP P05067 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ SLC2A1 P11166 1/20 0.38
▸ ACP1 P24666 1/20 0.38

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
SCHEMBL16665634 0.89 HTR6 (0.50) EGFR
SCHEMBL18074114 0.88 EGFR (0.43) CDK7CCNHCCNT1CDK9MNAT1
SCHEMBL18074097 0.76 CDK7 (0.56) CDK7CCNHCCNT1CDK9MNAT1
SCHEMBL18074117 0.75 TSHR (0.44) CDK7CCNHEGFRTP53
SCHEMBL18074116 0.69 CDK9 (0.48) CDK7CCNHCCNT1CDK9MNAT1
SCHEMBL19040086 0.69 CDK7 (0.51) CDK7CCNHCCNT1CDK9MNAT1
SCHEMBL19040122 0.65 CDK7 (0.43) CDK7CCNHCCNT1CDK9MNAT1
SCHEMBL16665592 0.65 EGFR (0.51) CDK7CCNHCCNT1CDK9EGFR
SCHEMBL29613438 0.65 EGFR (0.51) CDK7CCNHCCNT1CDK9EGFR
SCHEMBL18069821 0.64 CDK7 (0.57) CDK7CCNHCCNT1CDK9MNAT1

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 CDK7 1/4885CCNH 32/4885CCNT1 33/4885

“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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