SCHEMBL30239191

SCHEMBL30239191

Cn1cc(-c2cnc(NC(N)=O)cn2)cn1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 7/20 0.47
EP300 Q09472 2/20 0.46
MAPK1 P28482 2/20 0.44
PIK3CA P42336 1/20 0.44
MAPK8 P45983 1/20 0.44
MAPK9 P45984 1/20 0.44
MAPK10 P53779 1/20 0.44
SYK P43405 1/20 0.43
DYRK1A Q13627 5/20 0.43
GSK3B P49841 4/20 0.43
WNT1 P04628 3/20 0.43
ABL1 P00519 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.41
CSF1R P07333 1/20 0.41
CLK2 P49760 2/20 0.41
CLK3 P49761 2/20 0.41

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
SCHEMBL22998076 0.87 EP300 (0.48) MAP4K1EP300MAPK1PIK3CAMAPK8
SCHEMBL30238470 0.87 MAPK1 (0.47) MAP4K1EP300MAPK1PIK3CAMAPK8
SCHEMBL30662090 0.81 MAPK1 (0.65) MAP4K1EP300MAPK1PIK3CAMAPK8
SCHEMBL30238347 0.80 GSK3B (0.51) EP300DYRK1AGSK3BWNT1ABL1
SCHEMBL30238422 0.79 STING1 (0.50) MAP4K1EP300MAPK1PIK3CAMAPK8
SCHEMBL22998769 0.77 GSK3B (0.48) MAP4K1EP300DYRK1AGSK3BWNT1
SCHEMBL28486101 0.76 GSK3B (0.45) MAP4K1EP300MAPK1PIK3CAMAPK8
SCHEMBL28483799 0.76 EP300 (0.44) MAP4K1EP300MAPK1PIK3CAMAPK8
SCHEMBL21426449 0.76 MAPK1 (0.64) EP300MAPK1PIK3CAMAPK8MAPK9
SCHEMBL30662136 0.75 IKBKE (0.46) MAP4K1MAPK1DYRK1AGSK3BWNT1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12435063-B2 Nitrogen containing heterocycles as CDK12 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-10-07 US disclosed
CN-111918863-B Heterocyclic compounds 武田药品工业株式会社 2024-01-05 CN disclosed
US-11584737-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-02-21 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-11584737-B2 Heterocyclic compound CDK12, CDK1, CDK15 MAP4K1 120/4885EP300 896/4885MAPK1 151/4885
US-12435063-B2 Nitrogen containing heterocycles as CDK12 inhibitors CDK1, CDK12, CDK15 MAP4K1 154/4885EP300 1401/4885MAPK1 183/4885

“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.