SCHEMBL18074097

SCHEMBL18074097

Nc1cccc(Nc2ncc(Cl)c(-c3cn(-c4ccccc4)c4ccccc34)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 2/20 0.56
▸ CCNH P51946 2/20 0.56
▸ CCNT1 O60563 2/20 0.56
▸ CDK9 P50750 2/20 0.56
▸ MNAT1 P51948 1/20 0.56
▸ EGFR P00533 9/20 0.47
▸ ABL1 P00519 2/20 0.45
▸ SRC P12931 2/20 0.45
▸ PDGFRB P09619 1/20 0.45
▸ PDGFRA P16234 1/20 0.45
▸ MAPK14 Q16539 1/20 0.45
▸ POLB P06746 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.43
▸ SYK P43405 2/20 0.42
▸ CTSC P53634 1/20 0.42
▸ CDK1 P06493 3/20 0.41
▸ KDR P35968 2/20 0.41
▸ CDK2 P24941 2/20 0.41
▸ CDK5 Q00535 2/20 0.41

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
SCHEMBL19040086 0.85 CDK7 (0.51) CDK7CCNHCCNT1CDK9MNAT1
SCHEMBL29613438 0.84 EGFR (0.51) CDK7CCNHCCNT1CDK9EGFR
SCHEMBL16665592 0.84 EGFR (0.51) CDK7CCNHCCNT1CDK9EGFR
SCHEMBL18074116 0.78 CDK9 (0.48) CDK7CCNHCCNT1CDK9MNAT1
SCHEMBL18069821 0.78 CDK7 (0.57) CDK7CCNHCCNT1CDK9MNAT1
SCHEMBL18074115 0.76 CDK7 (0.43) CDK7CCNHCCNT1CDK9MNAT1
SCHEMBL18069824 0.76 KDM4E (0.60) CDK7CCNHCCNT1CDK9MNAT1
SCHEMBL19040089 0.76 CDK7 (0.46) CDK7CCNHCCNT1CDK9MNAT1
SCHEMBL20204774 0.76 EGFR (0.67) CDK7CCNHCCNT1CDK9MNAT1
SCHEMBL29613510 0.76 EGFR (0.67) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180208578-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2018-07-26 — — US disclosed
US-20170183355-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2017-06-29 — — US disclosed
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 (3 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-20180208578-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 CDK7 1/4885CCNH 31/4885CCNT1 34/4885
US-20160264552-A1 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES CDK7, CDK6, CDK3 CDK7 1/4885CCNH 32/4885CCNT1 33/4885
US-20170183355-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 CDK7 1/4885CCNH 31/4885CCNT1 34/4885

“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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