SCHEMBL6799356

SCHEMBL6799356

COC(=O)c1[nH]nc2c1Cc1cc(O)ccc1-2

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 13/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
ATM Q13315 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALPL P05186 1/20 0.46
CLK1 P49759 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP2C8 P10632 1/20 0.41
CYP2C9 P11712 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
HSD17B1 P14061 1/20 0.40
KDM4C Q9H3R0 1/20 0.39

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
SCHEMBL6787018 0.92 CHEK1 (0.46) CHEK1MEN1KMT2ANPC1RAB9A
SCHEMBL6791498 0.89 MEN1 (0.60) CHEK1MEN1KMT2ANPC1RAB9A
SCHEMBL6795251 0.86 MEN1 (0.63) CHEK1MEN1KMT2ANPC1RAB9A
SCHEMBL6793178 0.84 KDM4E (0.53) CHEK1MEN1KMT2ANPC1RAB9A
SCHEMBL6795133 0.81 MEN1 (0.54) CHEK1MEN1KMT2ANPC1RAB9A
SCHEMBL6788509 0.78 MEN1 (0.39) CHEK1MEN1KMT2ANPC1RAB9A
SCHEMBL4806113 0.76 CHEK1 (0.70) CHEK1
SCHEMBL6793273 0.76 KDM4E (0.47) CHEK1MEN1KMT2AKDM4EALPL
SCHEMBL6788929 0.76 MEN1 (0.54) MEN1KMT2ANPC1RAB9AATM
SCHEMBL6792055 0.75 KDM4E (0.80) MEN1KMT2ANPC1RAB9AATM

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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 CHEK1 427/4885MEN1 1382/4885KMT2A 1257/4885

“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.