SCHEMBL6293447

SCHEMBL6293447

CCCC1=C(C#N)C(c2cccc([N+](=O)[O-])c2Br)c2c[nH]nc2N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CUL4A Q13619 1/20 0.38
AKR1C3 P42330 6/20 0.34
AKR1C1 Q04828 6/20 0.34
MAPT P10636 2/20 0.33
KLK7 P49862 1/20 0.33
CACNA1C Q13936 2/20 0.32
NR3C2 P08235 1/20 0.32
KMT2A Q03164 4/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
TP53 P04637 2/20 0.30
HSD17B10 Q99714 2/20 0.30
USP2 O75604 1/20 0.30
ALOX15 P16050 1/20 0.30
ABCC4 O15439 1/20 0.30
PLIN1 O60240 1/20 0.30
CACNA1F O60840 1/20 0.30
GMNN O75496 1/20 0.30

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
SCHEMBL6292345 0.91 CUL4A (0.47) CUL4AAKR1C3AKR1C1MAPTKLK7
SCHEMBL6297468 0.89 CUL4A (0.38) CUL4AAKR1C3AKR1C1MAPTKLK7
SCHEMBL6760910 0.84 NR3C2 (0.33) MAPTNR3C2KDM4EALDH1A1TP53
SCHEMBL7438969 0.84 CACNA1C (0.36) MAPTCACNA1CKMT2AKDM4EALDH1A1
SCHEMBL7435633 0.84 CACNA1C (0.36) MAPTCACNA1CKMT2AKDM4EALDH1A1
SCHEMBL6293389 0.84 NR3C2 (0.34) CUL4AAKR1C3AKR1C1MAPTNR3C2
SCHEMBL6760937 0.83 CACNA1C (0.35) MAPTCACNA1CKMT2AKDM4EALDH1A1
SCHEMBL6292198 0.82 CUL4A (0.49) CUL4AMAPTKLK7CACNA1CKMT2A
SCHEMBL6293363 0.82 CACNA1C (0.46) MAPTCACNA1CNR3C2KMT2AKDM4E
SCHEMBL6297275 0.81 CDK1 (0.40) MAPTNR3C2KMT2AKDM4EALDH1A1

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 6 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 claimed
US-20040052822-A1 Dihydropyrazolopyridine compounds and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-03-18 US claimed
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 3202/4885AKR1C3 1646/4885AKR1C1 1357/4885

“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.