SCHEMBL16077830

SCHEMBL16077830

CCc1c(-c2ccccn2)[nH]c2c(C#N)cnn2c1=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 8/20 0.45
▸ KDM4D Q6B0I6 3/20 0.38
▸ GRIA1 P42261 1/20 0.38
▸ GRIA3 P42263 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ MDM2 Q00987 1/20 0.36
▸ KDM4C Q9H3R0 1/20 0.35
▸ PLAT P00750 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CSNK2A2 P19784 1/20 0.33
▸ CHEK1 O14757 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
SCHEMBL16047275 0.85 KDM5A (0.47) KDM5AKDM4DMDM2KDM4CPLAT
SCHEMBL16092553 0.83 KDM5A (0.46) KDM5AKDM4DMDM2KDM4CPLAT
SCHEMBL16077821 0.82 KDM5A (0.47) KDM5AKDM4DMDM2KDM4CPLAT
SCHEMBL16092294 0.81 KDM5A (0.43) KDM5AKDM4DMDM2PLATKDM4E
SCHEMBL16050470 0.80 KDM5A (0.45) KDM5AKDM4DPDE4DMDM2KDM4C
SCHEMBL16092247 0.80 KDM5A (0.45) KDM5AKDM4DKDM4CPLATKDM4E
SCHEMBL16092386 0.80 KDM5A (0.49) KDM5AKDM4DKDM4CPLATKDM4E
SCHEMBL18159119 0.80 KDM5A (0.53) KDM5AKDM4DKDM4CPLATKDM4E
SCHEMBL20426058 0.79 KDM5A (0.42) KDM5AKDM4DMDM2
SCHEMBL16050403 0.79 KDM5A (0.40) KDM5AKDM4DMDM2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220202792-A1 METHODS AND COMPOSITIONS FOR TREATING CHRONIC INFLAMMATORY INJURY, METAPLASIA, DYSPLASIA AND CANCERS OF EPITHELIAL TISSUES UNIVERSITY OF HOUSTON SYSTEM (US) 2022-06-30 — — US disclosed
WO-2020219963-A1 METHODS AND COMPOSITIONS FOR TREATING CHRONIC INFLAMMATORY INJURY, METAPLASIA, DYSPLASIA AND CANCERS OF EPITHELIAL TISSUES UNIVERSITY OF HOUSTON SYSTEM (US) 2020-10-29 — — WO disclosed
US-10035801-B2 Pyrazolo compounds and uses thereof GENENTECH, INC. (US) 2018-07-31 — — US disclosed
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-03-03 — — US disclosed
WO-2014139326-A1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2014-09-18 — — WO disclosed
US-20140275092-A1 PYRAZOLO COMPOUNDS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2014-09-18 — — US disclosed
US-20140275092-A1 PYRAZOLO COMPOUNDS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2014-09-18 — — 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 (4 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-10035801-B2 Pyrazolo compounds and uses thereof KDM5A, KDM5C, KDM5B KDM5A 1/4885KDM4D 18/4885GRIA1 2368/4885
US-20140275092-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM1B, DOT1L, EHMT1 KDM5A 4/4885KDM4D 32/4885GRIA1 2223/4885
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM5A, KDM5C, KDM5B KDM5A 1/4885KDM4D 18/4885GRIA1 2368/4885
US-20220202792-A1 METHODS AND COMPOSITIONS FOR TREATING CHRONIC INFLAMMATORY INJURY, METAPLASIA, DYSPLASIA AND CANCERS OF EPITHELIAL TISSUES FABP2, MUC1, FABP6 KDM5A 4362/4885KDM4D 4516/4885GRIA1 3416/4885

“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.

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