SCHEMBL6498654

SCHEMBL6498654

NC(=O)Nc1cn(-c2ccc(-c3cc(Cl)ccc3Cl)cc2)nc1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 2/20 0.41
GAA P10253 2/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
AURKA O14965 5/20 0.40
ITK Q08881 1/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
MAP4K4 O95819 1/20 0.38
PARP1 P09874 2/20 0.37
PARP2 Q9UGN5 1/20 0.37
PARP3 Q9Y6F1 1/20 0.37

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
SCHEMBL6499612 0.91 MARS1 (0.44) MAPTALDH1A1KDM4EHPGDLMNA
SCHEMBL6506527 0.87 SCN9A (0.46) MAPTALDH1A1KDM4EHPGDLMNA
SCHEMBL6468173 0.86 PDE4D (0.44) MAPTALDH1A1KDM4EHPGDKMT2A
SCHEMBL6465833 0.86 ALDH1A1 (0.53) MAPTALDH1A1KDM4EHPGDLMNA
SCHEMBL6501596 0.83 IKBKB (0.47) MAPTALDH1A1KDM4EHPGDLMNA
SCHEMBL6504832 0.82 GRIN2B (0.41) MAPTALDH1A1KDM4EHPGDLMNA
SCHEMBL6497396 0.82 SCN9A (0.43) MAPTALDH1A1KDM4EHPGDLMNA
SCHEMBL6468749 0.82 ITK (0.44) MAPTALDH1A1KDM4EKMT2AGAA
SCHEMBL6499994 0.81 ITK (0.39) MAPTALDH1A1KDM4EHPGDLMNA
SCHEMBL6506563 0.80 SCN9A (0.46) MAPTALDH1A1KDM4EHPGDLMNA

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 MAPT 1906/4885ALDH1A1 846/4885KDM4E 2424/4885

“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.