Sugi Predict

Sugi Predict / Compounds / SCHEMBL6661440

SCHEMBL6661440

SCHEMBL6661440

CC(C)(C)n1nc(CNc2ccccc2)c(N)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ POLB P06746 1/20 0.38
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ SRC P12931 3/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ GHSR Q92847 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ RIPK2 O43353 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CCNE1 P24864 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
SCHEMBL6666199 0.80 MAPT (0.42) SMN1; SMN2POLBNPC1RAB9AKDM4E
SCHEMBL6661847 0.77 MAOA (0.38) SMN1; SMN2POLBNPC1RAB9AKDM4E
SCHEMBL6659769 0.76 GAA (0.44) SMN1; SMN2HPGDPOLBNPC1RAB9A
SCHEMBL6660442 0.75 GAA (0.42) SMN1; SMN2POLBNPC1RAB9AKDM4E
Hydrochloric Acid SCHEMBL6666456 0.75 NPC1 (0.37) SMN1; SMN2POLBNPC1RAB9AKDM4E
SCHEMBL13019737 0.75 SRC (0.58) SMN1; SMN2HPGDKDM4ESRCABL1
Hydrochloric Acid SCHEMBL6660111 0.74 GAA (0.41) SMN1; SMN2POLBNPC1RAB9AKDM4E
SCHEMBL6658968 0.73 POLB (0.57) SMN1; SMN2HPGDPOLBKDM4EMEN1
SCHEMBL1800877 0.73 HPGD (0.35) SMN1; SMN2HPGDSRCRIPK2
SCHEMBL6661028 0.71 POLB (0.48) SMN1; SMN2POLBNPC1RAB9AKDM4E

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
EP-1268436-B1 NOVEL DIAMINOPYRAZOLE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AG (DE) 2004-08-18 — — 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
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 SMN1; SMN2 852/4885HPGD 332/4885POLB 361/4885

“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.