SCHEMBL21549456

SCHEMBL21549456

Nc1ncc(C2CC2)c(-c2c[nH]c3ccccc23)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK1 P49759 8/20 0.64
▸ CDK5 Q00535 7/20 0.64
▸ CDK5R1 Q15078 7/20 0.64
▸ CDK7 P50613 2/20 0.58
▸ CCNH P51946 1/20 0.58
▸ MNAT1 P51948 1/20 0.58
▸ DHFR P00374 1/20 0.55
▸ MAP3K14 Q99558 2/20 0.51
▸ GSK3B P49841 1/20 0.51
▸ DYRK1A Q13627 1/20 0.51
▸ PIM1 P11309 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL20416390 0.81 CDK7 (0.66) CDK7CCNHMNAT1
SCHEMBL16075920 0.79 CLK1 (0.71) CLK1CDK5CDK5R1CDK7CCNH
SCHEMBL29488123 0.79 CLK1 (0.71) CLK1CDK5CDK5R1CDK7CCNH
SCHEMBL20691183 0.79 CLK1 (0.71) CLK1CDK5CDK5R1MAP3K14GSK3B
SCHEMBL17150733 0.79 CDK5 (0.71) CLK1CDK5CDK5R1CDK7CCNH
SCHEMBL24839575 0.79 CLK1 (0.71) CLK1CDK5CDK5R1MAP3K14GSK3B
SCHEMBL23336396 0.76 CDK7 (0.72) CDK7CCNHMNAT1
SCHEMBL21026876 0.75 CDK5 (0.69) CLK1CDK5CDK5R1CDK7CCNH
SCHEMBL24839810 0.75 CLK1 (0.66) CLK1CDK5CDK5R1MAP3K14GSK3B
SCHEMBL24839576 0.74 CDK7 (1.00) CDK7CCNHMNAT1

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-10865206-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2020-12-15 — — US disclosed
US-20190337940-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2019-11-07 — — 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-20190337940-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 CLK1 254/4885CDK5 10/4885CDK5R1 40/4885
US-10865206-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) CDK7, CDK3, CDK9 CLK1 254/4885CDK5 10/4885CDK5R1 40/4885

“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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