SCHEMBL19040168

SCHEMBL19040168

CCc1cnc(N[C@@H]2CCC[C@](C)(N)C2)nc1-c1c(C)n(-c2ccccc2)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 11/20 0.42
▸ CCNT1 O60563 10/20 0.42
▸ CCNK O75909 10/20 0.42
▸ CDK9 P50750 10/20 0.42
▸ CDK12 Q9NYV4 10/20 0.42
▸ CCNE1 P24864 9/20 0.42
▸ CDK7 P50613 8/20 0.42
▸ CCNH P51946 8/20 0.42
▸ MNAT1 P51948 8/20 0.42
▸ ADORA2A P29274 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ CCNA2 P20248 2/20 0.34
▸ CCNA1 P78396 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34

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
SCHEMBL17150598 0.87 HTR6 (0.40) CDK2CCNT1CCNKCDK9CDK12
SCHEMBL19040162 0.84 CCNT1 (0.53) CDK2CCNT1CCNKCDK9CDK12
SCHEMBL17150714 0.81 CCNK (0.53) CDK2CCNT1CCNKCDK9CDK12
SCHEMBL17150567 0.78 HTR6 (0.48) CDK2CCNT1CCNKCDK9CDK12
SCHEMBL17150459 0.77 CCNK (0.69) CDK2CCNT1CCNKCDK9CDK12
SCHEMBL19040166 0.75 CDK2 (0.43) CDK2CCNT1CCNKCDK9CDK12
SCHEMBL19040167 0.74 CDK2 (0.39) CDK2CCNT1CCNKCDK9CDK12
SCHEMBL18069809 0.72 CDK7 (0.48) CDK2CCNT1CCNKCDK9CDK12
SCHEMBL17150641 0.71 CDK2 (0.38) CDK2CCNT1CCNKCDK9CDK12
SCHEMBL17150473 0.69 CDK7 (0.51) CDK2CCNT1CCNKCDK9CDK12

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 CDK2 7/4885CCNT1 34/4885CCNK 8/4885
US-20170183355-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 CDK2 7/4885CCNT1 34/4885CCNK 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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