SCHEMBL19040158

SCHEMBL19040158

Cc1cnc(N[C@@H]2CCC[C@](C)(NCc3ccc([N+](=O)[O-])cn3)C2)nc1-c1c[nH]c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 15/20 0.53
▸ CCNH P51946 13/20 0.53
▸ CCNK O75909 11/20 0.53
▸ CDK12 Q9NYV4 11/20 0.53
▸ MNAT1 P51948 11/20 0.53
▸ CCNT1 O60563 10/20 0.53
▸ CDK9 P50750 10/20 0.53
▸ JUN P05412 2/20 0.51
▸ MAPK8 P45983 2/20 0.51
▸ MAPK9 P45984 2/20 0.51
▸ MAPK10 P53779 2/20 0.51
▸ CDK2 P24941 9/20 0.47
▸ CCNE1 P24864 7/20 0.46
▸ CRBN Q96SW2 1/20 0.42

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
SCHEMBL17150455 0.93 CDK7 (0.56) CDK7CCNHCCNKCDK12MNAT1
SCHEMBL17149761 0.90 CCNK (0.56) CDK7CCNHCCNKCDK12MNAT1
SCHEMBL19040160 0.88 CDK7 (0.56) CDK7CCNHCCNKCDK12MNAT1
SCHEMBL17150456 0.82 CDK7 (0.58) CDK7CCNHCCNKCDK12MNAT1
SCHEMBL19040161 0.81 CDK7 (0.72) CDK7CCNHCCNKCDK12MNAT1
SCHEMBL17150755 0.81 CDK2 (0.56) CDK7CCNHCCNKCDK12MNAT1
SCHEMBL17149759 0.79 CCNK (0.59) CDK7CCNHCCNKCDK12MNAT1
SCHEMBL19040159 0.78 CDK7 (0.68) CDK7CCNHCCNKCDK12MNAT1
SCHEMBL17150423 0.77 CDK7 (0.59) CDK7CCNHCCNKCDK12MNAT1
SCHEMBL17150619 0.75 CDK7 (0.74) CDK7CCNHCCNKCDK12MNAT1

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 31/4885CCNK 8/4885
US-20170183355-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 CDK7 1/4885CCNH 31/4885CCNK 8/4885

“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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