SCHEMBL6507542

SCHEMBL6507542

Cc1c(N)cncc1-c1ccc2[nH]nc(-c3nc(-c4cccc(F)c4)c[nH]3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP3K8 P41279 3/20 0.53
WNT1 P04628 9/20 0.51
CLK2 P49760 8/20 0.47
DYRK1A Q13627 7/20 0.47
CLK3 P49761 6/20 0.47
CLK1 P49759 1/20 0.45
GSK3B P49841 1/20 0.45
DYRK2 Q92630 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
TGFBR1 P36897 2/20 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
SCHEMBL6511342 0.93 CDK1 (0.46) MAP3K8WNT1CLK2DYRK1ACLK3
SCHEMBL6507878 0.92 MAP3K8 (0.50) MAP3K8WNT1CLK2DYRK1ACLK3
SCHEMBL6504553 0.84 MAP3K8 (0.76) MAP3K8CDK1CCNB1CCNA2CDK2
SCHEMBL6501756 0.76 MAP3K8 (0.68) MAP3K8CDK1CCNB1CCNA2CDK2
SCHEMBL6501818 0.75 MAP3K8 (0.74) MAP3K8CDK1CCNB1CCNA2CDK2
SCHEMBL6502024 0.74 MAP3K8 (0.55) MAP3K8WNT1CDK1CCNB1CCNA2
SCHEMBL6501453 0.73 MAP3K8 (0.64) MAP3K8CDK1CCNB1CCNA2CDK2
SCHEMBL15306641 0.72 CLK2 (0.65) WNT1CLK2DYRK1ACLK3CLK1
SCHEMBL6504609 0.72 MAP3K8 (0.71) MAP3K8WNT1CLK2DYRK1ACLK3
SCHEMBL15306640 0.72 CLK2 (0.68) WNT1CLK2DYRK1ACLK3CLK1

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-20050090529-A1 3,5 Disubstituted indazole compounds with nitrogen-bearing 5-membered heterocycles, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation PFIZER INC 2005-04-28 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-20050090529-A1 3,5 Disubstituted indazole compounds with nitrogen-bearing 5-membered heterocycles, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, CDK4, CDK9 MAP3K8 143/4885WNT1 640/4885CLK2 492/4885

“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.