SCHEMBL6661798

SCHEMBL6661798

CC(C)n1nc(CNc2cccc(N)c2)c(N)c1N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 5/20 0.34
KDM4E B2RXH2 3/20 0.34
GAA P10253 3/20 0.34
MAPT P10636 2/20 0.34
GFER P55789 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
FYN P06241 2/20 0.33
ABL1 P00519 2/20 0.33
TP53 P04637 1/20 0.33
IDE P14735 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 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
Hydrochloric Acid SCHEMBL6662612 0.99 SRC (0.34) SRCKDM4EGAAMAPTGFER
SCHEMBL6661909 0.87 SRC (0.40) SRCKDM4EMAPTGFERMEN1
SCHEMBL6661847 0.86 MAOA (0.38) KDM4EGAAMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL7244282 0.86 PIK3CD (0.39) SRCKDM4EMAPTGFERMEN1
Hydrochloric Acid SCHEMBL6666456 0.85 NPC1 (0.37) SRCKDM4EGAAMEN1KMT2A
SCHEMBL6659635 0.83 MAOA (0.41) SRCKDM4EGAAALDH1A1NPC1
Hydrochloric Acid SCHEMBL6662598 0.82 MAOA (0.40) SRCKDM4EGAAMAPTALDH1A1
SCHEMBL6660988 0.81 ALDH1A1 (0.35) KDM4EGAAMAPTGFERLMNA
Hydrochloric Acid SCHEMBL6664936 0.80 ALDH1A1 (0.35) KDM4EGAAMAPTGFERTDP1
SCHEMBL6659526 0.79 EGFR (0.41) SRCKDM4EGAAMAPTGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268436-B1 NOVEL DIAMINOPYRAZOLE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AG (DE) 2004-08-18 EP claimed
US-6600050-B2 Inorganic and organic acids and agents, containing these compounds, for the oxidative dyeing of fibers such as hair for hair dyes WELLA AG (DE) 2003-07-29 US claimed
US-20030115684-A1 Novel diaminopyrazole derivatives and dyes containing said compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-06-26 US claimed
EP-1268436-A1 NOVEL DIAMINOPYRAZOLE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2003-01-02 EP claimed
WO-2002072556-A1 NOVEL DIAMINOPYRAZOLE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2002-09-19 WO claimed
EP-1268436-B1 NOVEL DIAMINOPYRAZOLE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AG (DE) 2004-08-18 EP disclosed
EP-1419161-A1 SUBSTITUTED-HETEROARYL-7-AZA 2.2.1]BICYCLOHEPTANES FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-05-19 EP disclosed
US-6600050-B2 Inorganic and organic acids and agents, containing these compounds, for the oxidative dyeing of fibers such as hair for hair dyes WELLA AG (DE) 2003-07-29 US disclosed
US-20030115684-A1 Novel diaminopyrazole derivatives and dyes containing said compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-06-26 US disclosed
WO-2003018585-A1 SUBSTITUTED-HETEROARYL-7-AZA[2.2.1]BICYCLOHEPTANES FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-03-06 WO disclosed
EP-1268436-A1 NOVEL DIAMINOPYRAZOLE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2003-01-02 EP disclosed
WO-2002072556-A1 NOVEL DIAMINOPYRAZOLE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2002-09-19 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 (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-20030115684-A1 Novel diaminopyrazole derivatives and dyes containing said compounds AOC1, DPYD, PPOX SRC 4281/4885KDM4E 4600/4885GAA 1099/4885

“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.