SCHEMBL6504415

SCHEMBL6504415

NC(=O)Nc1cn(-c2ccc(-c3ccc(F)cc3)cc2)nc1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
MAPT P10636 3/20 0.50
KMT2A Q03164 5/20 0.48
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 4/20 0.48
HTT P42858 1/20 0.48
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA9 Q16790 4/20 0.46
CA12 O43570 3/20 0.46
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ITK Q08881 1/20 0.42
LMNA P02545 3/20 0.41
HDAC1 Q13547 1/20 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
SCHEMBL6467527 0.96 KDM4E (0.47) KDM4EMAPTKMT2AALDH1A1MEN1
SCHEMBL6505030 0.91 ITK (0.42) KDM4EMAPTKMT2AALDH1A1MEN1
SCHEMBL6497388 0.89 KDM4E (0.53) KDM4EMAPTKMT2AALDH1A1MEN1
SCHEMBL6470631 0.89 KDM4E (0.42) KDM4EMAPTKMT2AALDH1A1MEN1
SCHEMBL6506096 0.88 SCN9A (0.48) KDM4EMAPTKMT2AALDH1A1MEN1
SCHEMBL6507198 0.88 MAP4K4 (0.47) KDM4EMAPTALDH1A1RAB9ANPC1
SCHEMBL6498693 0.88 KDM4E (0.46) KDM4EMAPTKMT2AALDH1A1MEN1
SCHEMBL6468270 0.88 CA9 (0.48) KDM4EMAPTKMT2AALDH1A1MEN1
SCHEMBL6507842 0.88 IDO1 (0.45) KDM4EMAPTKMT2AALDH1A1MEN1
SCHEMBL6503754 0.87 KDM4E (0.42) KDM4EMAPTKMT2AALDH1A1MEN1

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-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation PHARMACIA AND UPJOHN COMPANY LLC 2005-09-08 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-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation IL4, ARG2, CASP4 KDM4E 2424/4885MAPT 1906/4885KMT2A 3219/4885

“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.