SCHEMBL6467925

SCHEMBL6467925

NC(=O)Nc1cn(-c2ccc(Sc3ccccc3O)cc2)nc1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
ALDH1A1 P00352 4/20 0.41
GAA P10253 2/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ITK Q08881 1/20 0.40
KDM4E B2RXH2 5/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 3/20 0.37
PKM P14618 1/20 0.37
IRAK4 Q9NWZ3 4/20 0.37
SIRT1 Q96EB6 1/20 0.35
LMNA P02545 3/20 0.34
CA12 O43570 2/20 0.34

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
SCHEMBL6465977 0.88 ITK (0.40) MAPTALDH1A1GAAPOLBL3MBTL1
SCHEMBL6470131 0.86 ITK (0.41) MAPTALDH1A1GAAPOLBL3MBTL1
SCHEMBL6498279 0.82 ALDH1A1 (0.47) MAPTALDH1A1GAAITKKDM4E
SCHEMBL6470394 0.82 IRAK4 (0.42) MAPTALDH1A1GAAPOLBL3MBTL1
SCHEMBL6470631 0.82 KDM4E (0.42) MAPTALDH1A1GAAPOLBL3MBTL1
SCHEMBL6469492 0.81 IRAK4 (0.42) MAPTALDH1A1GAAPOLBL3MBTL1
SCHEMBL6507561 0.80 KDM4E (0.45) MAPTALDH1A1GAAPOLBL3MBTL1
SCHEMBL6504781 0.79 ITK (0.43) MAPTALDH1A1GAAPOLBITK
SCHEMBL6497944 0.79 ITK (0.45) MAPTALDH1A1POLBL3MBTL1ITK
SCHEMBL6501920 0.79 ITK (0.43) MAPTALDH1A1GAAPOLBL3MBTL1

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-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation PHARMACIA AND UPJOHN COMPANY LLC 2005-09-08 US disclosed
WO-2005037797-A1 SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-04-28 WO 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 MAPT 1906/4885ALDH1A1 846/4885GAA 3532/4885

“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.