SCHEMBL24839810

SCHEMBL24839810

C=Cc1cnc(N)nc1-c1c[nH]c2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK1 P49759 9/20 0.66
▸ CDK5 Q00535 8/20 0.66
▸ CDK5R1 Q15078 8/20 0.66
▸ CCNT1 O60563 1/20 0.55
▸ CCNK O75909 1/20 0.55
▸ CCNE1 P24864 1/20 0.55
▸ CDK2 P24941 1/20 0.55
▸ CDK9 P50750 1/20 0.55
▸ CDK12 Q9NYV4 1/20 0.55
▸ MAP3K14 Q99558 2/20 0.52
▸ GSK3B P49841 1/20 0.52
▸ DYRK1A Q13627 1/20 0.52
▸ PIM1 P11309 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ PPARG P37231 1/20 0.44

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
SCHEMBL16075920 0.80 CLK1 (0.71) CLK1CDK5CDK5R1CCNT1CCNK
SCHEMBL17150733 0.80 CDK5 (0.71) CLK1CDK5CDK5R1CCNT1CCNK
SCHEMBL20691183 0.80 CLK1 (0.71) CLK1CDK5CDK5R1MAP3K14GSK3B
SCHEMBL24839575 0.80 CLK1 (0.71) CLK1CDK5CDK5R1CCNT1CCNK
SCHEMBL29488123 0.80 CLK1 (0.71) CLK1CDK5CDK5R1CCNT1CCNK
SCHEMBL21026876 0.76 CDK5 (0.69) CLK1CDK5CDK5R1CCNT1CCNK
SCHEMBL21549456 0.75 CLK1 (0.64) CLK1CDK5CDK5R1MAP3K14GSK3B
SCHEMBL29488162 0.69 GSK3B (1.00) CLK1CDK5CDK5R1CCNT1CDK2
SCHEMBL12922475 0.69 CDK5 (0.56) CLK1CDK5CDK5R1MAP3K14GSK3B
SCHEMBL29700410 0.69 CDK5 (0.60) CLK1CDK5CDK5R1MAP3K14GSK3B

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
EP-3484871-B1 PIPERIDINE DERIVATIVES AS INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS INC (US) 2023-06-07 — — EP disclosed
US-20230000870-A1 METHODS OF TREATING CANCER IN BIOMARKER-IDENTIFIED PATIENTS WITH INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2023-01-05 — — 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-20230000870-A1 METHODS OF TREATING CANCER IN BIOMARKER-IDENTIFIED PATIENTS WITH INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, RB1, MKI67 CLK1 835/4885CDK5 21/4885CDK5R1 37/4885

“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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