SCHEMBL6087377

SCHEMBL6087377

Nc1cnn(-c2nccc3sccc23)c1N

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.47
MALT1 Q9UDY8 1/20 0.38
LMNA P02545 1/20 0.33
DRD2 P14416 4/20 0.32
HTR2A P28223 4/20 0.32
DRD3 P35462 4/20 0.32
ABCB1 P08183 1/20 0.32
ABCC1 P33527 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32

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
SCHEMBL6086513 0.73 PLAU (0.47) HTR2CMALT1
SCHEMBL4459310 0.69 ALDH1A1 (0.40) LMNA
SCHEMBL6086442 0.69 KDM4E (0.45) MALT1LMNA
SCHEMBL20265367 0.68 MALT1 (0.60) MALT1
SCHEMBL761059 0.68 DYRK1A (0.48) HTR2CLMNA
SCHEMBL20278373 0.67 MALT1 (0.61) MALT1
SCHEMBL6642883 0.65 HTR2C (0.65) HTR2CMALT1DRD2HTR2ADRD3
SCHEMBL8317538 0.65 HTR2C (0.70) HTR2CDRD2HTR2ADRD3ABCB1
SCHEMBL3681749 0.65 HTR2C (0.70) HTR2CDRD2HTR2ADRD3ABCB1
Hydrochloric Acid SCHEMBL7594335 0.64 HTR2C (0.63) HTR2CMALT1DRD2HTR2ADRD3

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 HTR2C 3147/4885MALT1 1523/4885LMNA 805/4885

“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.