SCHEMBL1592852

SCHEMBL1592852

NC(=O)c1ccnc(-c2ccncc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4B O94953 2/20 0.58
KDM5C P41229 2/20 0.58
KDM5B Q9UGL1 2/20 0.58
MAP4K4 O95819 2/20 0.56
CDC7 O00311 1/20 0.50
PIM1 P11309 1/20 0.49
FYN P06241 1/20 0.49
CASP1 P29466 1/20 0.47
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
CHEK2 O96017 1/20 0.47
PKN1 Q16512 1/20 0.47
PKN2 Q16513 1/20 0.47
MAP2K3 P46734 1/20 0.46
KMO O15229 1/20 0.44
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
CHUK O15111 1/20 0.44
CYP17A1 P05093 1/20 0.44
LOXL2 Q9Y4K0 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
SCHEMBL946431 0.86 ASIC3 (0.55) KDM4BKDM5CKDM5BMAP4K4PIM1
SCHEMBL7038517 0.85 KDM5C (0.69) KDM4BKDM5CKDM5BMAP4K4PIM1
SCHEMBL28907344 0.84 KDM4B (0.56) KDM4BKDM5CKDM5BMAP4K4PIM1
SCHEMBL29932888 0.84 MAP4K4 (0.55) KDM4BKDM5CKDM5BMAP4K4PIM1
SCHEMBL1759899 0.84 KMO (0.61) KDM4BKDM5CKDM5BKMOLOXL2
SCHEMBL28856057 0.83 MAP4K4 (0.54) KDM4BKDM5CKDM5BMAP4K4PIM1
SCHEMBL31582735 0.83 KDM5C (0.55) KDM4BKDM5CKDM5BMAP4K4PIM1
SCHEMBL1758188 0.83 MAP4K4 (0.57) KDM4BKDM5CKDM5BMAP4K4PIM1
SCHEMBL29932995 0.83 MAP4K4 (0.54) KDM4BKDM5CKDM5BMAP4K4PIM1
SCHEMBL3718581 0.82 HDAC1 (0.56) KDM4BKDM5CKDM5BMAP4K4CASP1

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-20150361102-A1 METHOD FOR PRODUCING METAL COMPLEX KURARAY CO., LTD. (JP) 2015-12-17 US disclosed
US-20110092505-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-21 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 (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-20110092505-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 KDM4B 2668/4885KDM5C 2504/4885KDM5B 2644/4885

“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.