SCHEMBL19055016

SCHEMBL19055016

Nc1nc(C(=O)N[C@H]2CCC[C@@H](Nc3ncc(Cl)c(-c4cn(S(=O)(=O)c5ccccc5)c5ccccc45)n3)C2)cs1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 13/20 0.49
▸ CCNT1 O60563 5/20 0.45
▸ CDK9 P50750 5/20 0.45
▸ CCNH P51946 5/20 0.45
▸ MNAT1 P51948 5/20 0.45
▸ CCNK O75909 2/20 0.42
▸ CDK12 Q9NYV4 2/20 0.42
▸ CDK2 P24941 2/20 0.41
▸ CCNE1 P24864 1/20 0.41
▸ HTR6 P50406 6/20 0.41
▸ DRD2 P14416 4/20 0.41
▸ HTR2A P28223 3/20 0.39
▸ HTR7 P34969 3/20 0.39
▸ HTR1A P08908 1/20 0.36
▸ CCNA2 P20248 1/20 0.36
▸ CCNA1 P78396 1/20 0.36

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
Hydrochloric Acid SCHEMBL19024766 0.99 CDK7 (0.49) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL17151735 0.90 CDK7 (0.55) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL19024549 0.88 CDK7 (0.50) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL17688372 0.88 CDK7 (0.65) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL16656080 0.88 CDK7 (0.65) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL19024523 0.88 CDK7 (0.54) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL16654985 0.87 CDK7 (0.52) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL16654987 0.87 CDK7 (0.52) CDK7CCNT1CDK9CCNHMNAT1
Hydrochloric Acid SCHEMBL16655196 0.87 CDK7 (0.64) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL19024500 0.86 CDK7 (0.56) CDK7CCNT1CDK9CCNHMNAT1

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 1/4885CCNT1 34/4885CDK9 3/4885
US-20170183355-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 CDK7 1/4885CCNT1 34/4885CDK9 3/4885

“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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