SCHEMBL5398964

SCHEMBL5398964

CC(O)c1cc(NC2CCNC2)ccc1N

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AXL P30530 3/20 0.39
PLK4 O00444 1/20 0.39
PRKCQ Q04759 1/20 0.38
CCNT1 O60563 2/20 0.37
CDK9 P50750 2/20 0.37
ITK Q08881 1/20 0.37
CDK7 P50613 3/20 0.35
CCNH P51946 3/20 0.35
MNAT1 P51948 3/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
HTR6 P50406 2/20 0.34
FLT3 P36888 1/20 0.34
CHEK2 O96017 1/20 0.34
CLK1 P49759 1/20 0.34
CLK2 P49760 1/20 0.34
CLK4 Q9HAZ1 1/20 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
SCHEMBL5388199 0.86 PRKCQ (0.37) AXLPLK4PRKCQITKPRMT5
SCHEMBL5390131 0.79 PRKCQ (0.43) AXLPLK4PRKCQITKHTR6
Hydrochloric Acid SCHEMBL5382559 0.78 PRKCQ (0.42) AXLPLK4PRKCQITKHTR6
SCHEMBL5392817 0.77 AXL (0.41) AXLPLK4PRKCQITKHTR6
SCHEMBL5383201 0.76 BRD4 (0.39) PLK4CCNT1CDK9CDK7CCNH
SCHEMBL6707565 0.76
SCHEMBL6712317 0.76 CDK7 (0.39) CDK7
SCHEMBL5392170 0.76 PRKCQ (0.41) AXLPLK4PRKCQITKHTR6
SCHEMBL5394159 0.74 PRKCQ (0.38) AXLPLK4PRKCQITKHTR6
SCHEMBL20612430 0.73 PRKCQ (0.39) AXLPLK4PRKCQITKHTR6

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 10 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
US-20030093866-A1 Dyeing compositions for keratinous fibres containing paraphenylenediamine derivatives with pyrrolidinyl group L'OREAL S.A. (FR) 2003-05-22 US 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

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 AXL 2436/4885PLK4 562/4885PRKCQ 494/4885
US-20030093866-A1 Dyeing compositions for keratinous fibres containing paraphenylenediamine derivatives with pyrrolidinyl group KRT18, CKAP4, KRTCAP2 AXL 3030/4885PLK4 991/4885PRKCQ 122/4885

“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.