SCHEMBL19600366

SCHEMBL19600366

Cc1cnc(N[C@@H]2CCC[C@H](N)C2)nc1-c1nn(Cc2ccccc2)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MERTK Q12866 6/20 0.44
▸ AXL P30530 1/20 0.44
▸ TYRO3 Q06418 1/20 0.44
▸ CDK2 P24941 5/20 0.42
▸ CCNA2 P20248 3/20 0.42
▸ CCNA1 P78396 3/20 0.42
▸ CDK9 P50750 7/20 0.41
▸ CCNT1 O60563 6/20 0.41
▸ CDK7 P50613 6/20 0.41
▸ CCNH P51946 5/20 0.41
▸ MNAT1 P51948 5/20 0.41
▸ CCNK O75909 2/20 0.41
▸ CDK12 Q9NYV4 2/20 0.41
▸ FLT3 P36888 2/20 0.40
▸ PDE5A O76074 1/20 0.40
▸ CCNE1 P24864 2/20 0.39
▸ CCNE2 O96020 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39

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
SCHEMBL17688405 0.87 CCNT1 (0.44) MERTKAXLTYRO3CDK2CCNA2
SCHEMBL19600377 0.83 CCNA2 (0.41) CDK2CCNA2CCNA1CDK9CCNT1
SCHEMBL19040155 0.77 CDK9 (0.57) MERTKAXLTYRO3CDK2CCNA2
SCHEMBL19600368 0.75 CCNK (0.58) CDK2CDK9CCNT1CDK7CCNH
SCHEMBL17149748 0.73 HTR6 (0.47) CDK2CDK9CCNT1CDK7CCNH
SCHEMBL19600365 0.73 PDE5A (0.54) PDE5ACYP1A2CYP3A4CYP2D6SCN8A
SCHEMBL18069809 0.73 CDK7 (0.48) CDK2CDK9CCNT1CDK7CCNH
SCHEMBL19040148 0.72 CDK7 (0.71) CDK2CDK9CCNT1CDK7CCNH
SCHEMBL17696260 0.72 CDK2 (0.40) CDK2CCNA2CCNA1CDK9CCNT1
SCHEMBL19600360 0.71 CDK7 (0.56) CDK2CDK9CCNT1CDK7CCNH

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-20170327496-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2017-11-16 — — 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-20170327496-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 MERTK 997/4885AXL 1159/4885TYRO3 2756/4885

“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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