SCHEMBL5471065

SCHEMBL5471065

CC(C)c1nn(C)c2nc3ccccc3c(Cl)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
MAPT P10636 5/20 0.39
CASP1 P29466 3/20 0.39
CASP7 P55210 3/20 0.39
HSD17B10 Q99714 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 2/20 0.39
BRCA1 P38398 1/20 0.39
HTT P42858 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
MAPK8 P45983 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 4/20 0.37
HCRTR1 O43613 1/20 0.37
TSHR P16473 2/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL5307603 0.81 MAOA (0.47) MAOAMAOBMAPTCASP1CASP7
SCHEMBL6344682 0.78 PIK3CD (0.39) MAOAMAOBMAPTKMT2AHTT
SCHEMBL30164763 0.71 MAPK8 (0.36) MAPTMEN1KMT2AHTTMAPK8
SCHEMBL20295343 0.71 MAPK8 (0.36) MAPTMEN1KMT2AHTTMAPK8
SCHEMBL5469917 0.68 MAOA (0.55) MAOAMAOBMAPTCASP1CASP7
SCHEMBL31194640 0.67 MAPK8 (0.33) MAPK8HCRTR1
SCHEMBL4031318 0.66 KDM4E (0.49) MAOAMAOBMAPTHTTKDM4E
SCHEMBL5465438 0.66 KDM4E (0.46) MAOAMAOBMAPTCASP1CASP7
SCHEMBL13394510 0.65 MAOA (0.55) MAOAMAOBMAPTCASP1CASP7
SCHEMBL15131694 0.65 MAOA (0.67) MAOAMAOBMAPTCASP1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070253957-A1 Substituted N-Aryl-1H-Pyrazolo[3,4-B]Quinolin-4-Amines and Analogs as Activators of Caspases and Inducers of Apoptosis CYTOVIA, INC. (US) 2007-11-01 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-20070253957-A1 Substituted N-Aryl-1H-Pyrazolo[3,4-B]Quinolin-4-Amines and Analogs as Activators of Caspases and Inducers of Apoptosis CASP3, CASP7, CASP4 MAOA 180/4885MAOB 116/4885MAPT 4328/4885

“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.