SCHEMBL3588644

SCHEMBL3588644

NC(=O)c1ccc(Nc2c[nH]nc2-c2ccccn2)nc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.43
CHEK2 O96017 2/20 0.39
HCAR3 P49019 1/20 0.39
P4HTM Q9NXG6 1/20 0.38
JAK3 P52333 3/20 0.37
JAK2 O60674 2/20 0.37
JAK1 P23458 2/20 0.37
TYK2 P29597 2/20 0.37
IRAK4 Q9NWZ3 1/20 0.36
PARP10 Q53GL7 1/20 0.36
VNN1 O95497 1/20 0.36

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
SCHEMBL3584456 0.82 MEN1 (0.37) P4HTM
SCHEMBL3588187 0.81 AURKA (0.54) P4HTM
SCHEMBL3575559 0.77 MEN1 (0.53)
SCHEMBL3584455 0.77 CSNK2A2 (0.35) CHEK2JAK1TYK2
SCHEMBL13314770 0.77 NPC1 (0.54)
SCHEMBL29686531 0.76 NNMT (0.58) NNMTHCAR3JAK3JAK2JAK1
SCHEMBL29074720 0.73 CHEK2 (0.55) CHEK2IRAK4PARP10
SCHEMBL3142614 0.73 NNMT (0.46) NNMTCHEK2HCAR3P4HTM
SCHEMBL28637666 0.72 GRM5 (0.44) CHEK2P4HTM
SCHEMBL29686690 0.72 NNMT (0.60) NNMTHCAR3TYK2

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-20100160324-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2010-06-24 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-20100160324-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES CDK1, CDK3, CDK13 NNMT 639/4885CHEK2 87/4885HCAR3 2405/4885

“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.