SCHEMBL6088099

SCHEMBL6088099

Cc1cc(C)c2nc(C)cc(-n3ncc(N)c3N)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 7/20 0.43
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 4/20 0.43
POLB P06746 3/20 0.43
RAD52 P43351 3/20 0.43
HTT P42858 3/20 0.43
HPGD P15428 3/20 0.43
LMNA P02545 2/20 0.43
MITF O75030 1/20 0.43
TDP1 Q9NUW8 1/20 0.35
PARP1 P09874 1/20 0.34
GAA P10253 2/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 3/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
XBP1 P17861 1/20 0.33
MEN1 O00255 2/20 0.33

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
SCHEMBL6087496 0.78 LMNA (0.45) RAB9AKDM4EALDH1A1KMT2AHTT
SCHEMBL436731 0.73 KDM4E (0.56) SMN1; SMN2RAB9AKDM4EALDH1A1KMT2A
SCHEMBL6088581 0.73 LMNA (0.42) SMN1; SMN2RAB9AKDM4EALDH1A1POLB
SCHEMBL3255793 0.71 HTT (0.49) SMN1; SMN2RAB9AKDM4EALDH1A1HTT
Hydrochloric Acid SCHEMBL5418181 0.70 HTT (0.48) SMN1; SMN2RAB9AKDM4EALDH1A1HTT
SCHEMBL3249550 0.68 MAPT (0.47) SMN1; SMN2RAB9AALDH1A1KMT2APOLB
SCHEMBL11810566 0.68 KDM4E (0.56) SMN1; SMN2RAB9AKDM4EALDH1A1KMT2A
Hydrochloric Acid SCHEMBL5419642 0.67 MAPT (0.46) SMN1; SMN2RAB9AALDH1A1KMT2APOLB
SCHEMBL6087451 0.66 MAPT (0.44) SMN1; SMN2RAB9AKDM4EALDH1A1KMT2A
SCHEMBL3251762 0.64 MAPK14 (0.57) SMN1; SMN2RAB9AKDM4EALDH1A1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7056354-B2 Compounds derived from diaminopyrazole substituted by a heteroaromatic radical and their use in oxidation dyeing of keratinous fibers L'OREAL (FR) 2006-06-06 US claimed
US-20040255397-A1 Compounds derived from diaminopyrazole substituted by a heteroaromatic radical and their use in oxidation dyeing of keratimous fibers L'OREAL (FR) 2004-12-23 US claimed
EP-1412348-A1 COMPOUNDS DERIVED FROM DIAMINOPYRAZOLE SUBSTITUTED BY A HETEROAROMATIC RADICAL AND THEIR USE IN OXIDATION DYEING OF KERATINOUS FIBRES L'OREAL (FR) 2004-04-28 EP claimed
WO-2003008405-A1 COMPOUNDS DERIVED FROM DIAMINOPYRAZOLE SUBSTITUTED BY A HETEROAROMATIC RADICAL AND THEIR USE IN OXIDATION DYEING OF KERATINOUS FIBRES L'OREAL (FR) 2003-01-30 WO claimed
US-7056354-B2 Compounds derived from diaminopyrazole substituted by a heteroaromatic radical and their use in oxidation dyeing of keratinous fibers L'OREAL (FR) 2006-06-06 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-20040255397-A1 Compounds derived from diaminopyrazole substituted by a heteroaromatic radical and their use in oxidation dyeing of keratimous fibers KRT18, AOC1, XRCC5 SMN1; SMN2 4667/4885RAB9A 4174/4885KDM4E 1495/4885

“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.