SCHEMBL5403382

SCHEMBL5403382

CCc1cc(N)ccc1NC1CCNC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.43
ATAD2 Q6PL18 4/20 0.43
BPTF Q12830 2/20 0.40
KCNH2 Q12809 1/20 0.39
PRKCZ Q05513 4/20 0.38
PRKD2 Q9BZL6 3/20 0.38
HRH4 Q9H3N8 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
HRH2 P25021 1/20 0.36
CCNT1 O60563 1/20 0.36
CCNK O75909 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
CDK9 P50750 1/20 0.36
CDK12 Q9NYV4 1/20 0.36
PLK4 O00444 1/20 0.35
MAPK14 Q16539 1/20 0.35
AXL P30530 1/20 0.35

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
SCHEMBL5390337 0.84 PRKCZ (0.37) BRD4ATAD2BPTFKCNH2PRKCZ
SCHEMBL5386930 0.81 BRD4 (0.48) BRD4ATAD2BPTFKCNH2PRKCZ
SCHEMBL5395259 0.79 CHEK1 (0.41) BRD4ATAD2BPTFPRKCZPRKD2
SCHEMBL5383201 0.76 BRD4 (0.39) BRD4ATAD2BPTFPRKCZPRKD2
SCHEMBL5392170 0.75 PRKCQ (0.41) BRD4ATAD2KCNH2HRH4HRH3
SCHEMBL10192577 0.73 PRKCZ (0.49) BRD4ATAD2KCNH2PRKCZPRKD2
SCHEMBL5392079 0.71 PLK4 (0.56) KCNH2PRKCZPRKD2HRH4HRH3
SCHEMBL14035868 0.70 BRD4 (0.43) BRD4ATAD2KCNH2HRH4HRH3
SCHEMBL4066935 0.70 HTR6 (0.47) BRD4ATAD2KCNH2PRKCZPRKD2
SCHEMBL18403938 0.69 HRH3 (0.41) BRD4ATAD2KCNH2PRKCZHRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7179301-B2 Dyeing compositions for keratinous fibers containing paraphenylenediamine derivatives with pyrrolidinyl group L'OREAL S.A. (FR) 2007-02-20 US claimed
US-7070629-B2 Dye composition comprising at least one diaminopyrazole oxidation base, at least one paraphenylenediamine oxidation base comprising a cyclic amino group, and at least one coupler L'OREAL, S.A. (FR) 2006-07-04 US claimed
US-20040231066-A1 Dyeing composition comprising a diaminopyrazole-type oxidation base, a paraphenylenediamine-type oxidation base with cyclic amino group and a coupling agent L'OREAL S.A. (FR) 2004-11-25 US claimed
EP-1432389-A1 DYEING COMPOSITION COMPRISING A DIAMINOPYRAZOLE-TYPE OXIDATION BASE, A PARAPHENYLENEDIAMINE-TYPE OXIDATION BASE WITH CYCLIC AMINO GROUP AND A COUPLING AGENT L'OREAL (FR) 2004-06-30 EP claimed
US-20030093866-A1 Dyeing compositions for keratinous fibres containing paraphenylenediamine derivatives with pyrrolidinyl group L'OREAL S.A. (FR) 2003-05-22 US claimed
WO-2003028689-A1 DYEING COMPOSITION COMPRISING A DIAMINOPYRAZOLE-TYPE OXIDATION BASE, A PARAPHENYLENEDIAMINE-TYPE OXIDATION BASE WITH CYCLIC AMINO GROUP AND A COUPLING AGENT L'OREAL (FR) 2003-04-10 WO claimed
EP-1200052-A2 DYEING COMPOSITIONS FOR KERATINOUS FIBRES CONTAINING PARAPHENYLENEDIAMINE DERIVATIVES WITH PYRROLIDINYL GROUP L'OREAL (FR) 2002-05-02 EP claimed
WO-2001068043-A2 DYEING COMPOSITIONS FOR KERATINOUS FIBRES CONTAINING PARAPHENYLENEDIAMINE DERIVATIVES WITH PYRROLIDINYL GROUP L'OREAL (FR) 2001-09-20 WO claimed
US-7179301-B2 Dyeing compositions for keratinous fibers containing paraphenylenediamine derivatives with pyrrolidinyl group L'OREAL S.A. (FR) 2007-02-20 US disclosed
US-7070629-B2 Dye composition comprising at least one diaminopyrazole oxidation base, at least one paraphenylenediamine oxidation base comprising a cyclic amino group, and at least one coupler L'OREAL, S.A. (FR) 2006-07-04 US disclosed
US-20040231066-A1 Dyeing composition comprising a diaminopyrazole-type oxidation base, a paraphenylenediamine-type oxidation base with cyclic amino group and a coupling agent L'OREAL S.A. (FR) 2004-11-25 US disclosed
EP-1432389-A1 DYEING COMPOSITION COMPRISING A DIAMINOPYRAZOLE-TYPE OXIDATION BASE, A PARAPHENYLENEDIAMINE-TYPE OXIDATION BASE WITH CYCLIC AMINO GROUP AND A COUPLING AGENT L'OREAL (FR) 2004-06-30 EP disclosed
US-20030093866-A1 Dyeing compositions for keratinous fibres containing paraphenylenediamine derivatives with pyrrolidinyl group L'OREAL S.A. (FR) 2003-05-22 US disclosed
WO-2003028689-A1 DYEING COMPOSITION COMPRISING A DIAMINOPYRAZOLE-TYPE OXIDATION BASE, A PARAPHENYLENEDIAMINE-TYPE OXIDATION BASE WITH CYCLIC AMINO GROUP AND A COUPLING AGENT L'OREAL (FR) 2003-04-10 WO disclosed
EP-1200052-A2 DYEING COMPOSITIONS FOR KERATINOUS FIBRES CONTAINING PARAPHENYLENEDIAMINE DERIVATIVES WITH PYRROLIDINYL GROUP L'OREAL (FR) 2002-05-02 EP disclosed
WO-2001068043-A2 DYEING COMPOSITIONS FOR KERATINOUS FIBRES CONTAINING PARAPHENYLENEDIAMINE DERIVATIVES WITH PYRROLIDINYL GROUP L'OREAL (FR) 2001-09-20 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 (2 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-20040231066-A1 Dyeing composition comprising a diaminopyrazole-type oxidation base, a paraphenylenediamine-type oxidation base with cyclic amino group and a coupling agent KRT18, AOC1, DPYD BRD4 667/4885ATAD2 3376/4885BPTF 2634/4885
US-20030093866-A1 Dyeing compositions for keratinous fibres containing paraphenylenediamine derivatives with pyrrolidinyl group KRT18, CKAP4, KRTCAP2 BRD4 1273/4885ATAD2 2804/4885BPTF 3143/4885

“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.