SCHEMBL6296701

SCHEMBL6296701

CC(C)C1=C(C#N)C(c2ccccc2[N+](=O)[O-])c2c[nH]nc2N1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CUL4A Q13619 1/20 0.49
KMT2A Q03164 6/20 0.40
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPT P10636 4/20 0.39
ABCC4 O15439 2/20 0.39
CACNA1F O60840 2/20 0.39
ABCB11 O95342 2/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 2/20 0.39
ADORA3 P0DMS8 2/20 0.39
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
OPRM1 P35372 2/20 0.39
SCN1A P35498 2/20 0.39
HTR2B P41595 2/20 0.39
CACNA1D Q01668 2/20 0.39
KCNH2 Q12809 2/20 0.39

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
SCHEMBL6293430 0.85 ALDH1A1 (0.35) CUL4AKDM4EALDH1A1TDP1MAPT
SCHEMBL6292198 0.83 CUL4A (0.49) CUL4AKMT2AKDM4EALDH1A1MEN1
SCHEMBL6293623 0.82 CUL4A (0.50) CUL4AKMT2AKDM4EALDH1A1MEN1
SCHEMBL6292345 0.82 CUL4A (0.47) CUL4AKMT2AKDM4EALDH1A1MEN1
SCHEMBL6297217 0.81 CDK1 (0.41) KMT2AKDM4EALDH1A1MEN1TDP1
SCHEMBL6293536 0.81 CUL4A (0.49) CUL4AKMT2AKDM4EALDH1A1MEN1
Acetonitrile SCHEMBL6296837 0.81 GSK3B (0.40) KDM4EALDH1A1MAPTSMN1; SMN2HSD17B10
SCHEMBL6292431 0.81 KDM4E (0.55) KMT2AKDM4EALDH1A1MEN1MAPT
SCHEMBL6296473 0.79 CUL4A (0.45) CUL4AKMT2AKDM4EALDH1A1MEN1
SCHEMBL6292250 0.79 CUL4A (0.45) CUL4AKMT2AKDM4EALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6977262-B2 Dihydropyrazolopyridine compounds and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2005-12-20 US disclosed
US-20040052822-A1 Dihydropyrazolopyridine compounds and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-03-18 US disclosed
EP-1355909-A2 DIHYDROPYRAZOLOPYRIDINE COMPOUNDS AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-10-29 EP disclosed
WO-2002062795-A2 DIHYDROPYRAZOLOPYRIDINE COMPOUNDS AND PHARMACEUTICAL USE THEREOF MITSUBISHI PHARMA CORPORATION (JP) 2002-08-15 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-20040052822-A1 Dihydropyrazolopyridine compounds and pharmaceutical use thereof GSK3B, GSK3A, PYGB CUL4A 3202/4885KMT2A 3396/4885KDM4E 1992/4885

“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.