SCHEMBL16046157

SCHEMBL16046157

CCc1c(Cc2ccccc2)[nH]c2c(C#N)cnn2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 9/20 0.46
▸ KDM4E B2RXH2 5/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ FPR1 P21462 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ MAPT P10636 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ KDM4D Q6B0I6 1/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ CSNK2A1 P68400 1/20 0.36
▸ KDM4C Q9H3R0 1/20 0.36
▸ PLAT P00750 2/20 0.35
▸ BCAT2 O15382 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 1/20 0.34

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
SCHEMBL16077822 0.89 KDM5A (0.42) KDM5AKDM4EGAAMAPTGLA
SCHEMBL16077833 0.87 KDM5A (0.42) KDM5AKDM4ECYP2C9FPR1GAA
SCHEMBL16077832 0.86 KDM5A (0.46) KDM5AKDM4EKDM4DKDM4CPLAT
SCHEMBL18159119 0.85 KDM5A (0.53) KDM5AKDM4EKDM4DKDM4CPLAT
SCHEMBL16077831 0.85 KDM4E (0.40) KDM5AKDM4EPLAT
SCHEMBL16077839 0.84 KDM5A (0.42) KDM5AKDM4EKDM4DKDM4CPLAT
SCHEMBL16077817 0.84 KDM4E (0.48) KDM5AKDM4ECYP2C9FPR1GAA
SCHEMBL16047075 0.83 KDM5A (0.49) KDM5AKDM4EKDM4DKDM4CPLAT
SCHEMBL16048043 0.82 KDM5A (0.50) KDM5AKDM4EKDM4DKDM4CPLAT
SCHEMBL16047129 0.82 KDM5A (0.50) KDM5AKDM4EKDM4DKDM4CPLAT

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 13 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
EP-2970307-B1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-03-11 — — EP disclosed
US-10035801-B2 Pyrazolo compounds and uses thereof GENENTECH, INC. (US) 2018-07-31 — — US disclosed
US-10035801-B2 Pyrazolo compounds and uses thereof GENENTECH, INC. (US) 2018-07-31 — — US 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
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-03-03 — — US disclosed
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-03-03 — — US 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
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

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 1/4885KDM4E 12/4885CYP2C9 2344/4885
US-20140275092-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM1B, DOT1L, EHMT1 KDM5A 4/4885KDM4E 27/4885CYP2C9 929/4885
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM5A, KDM5C, KDM5B KDM5A 1/4885KDM4E 12/4885CYP2C9 2344/4885
US-20220202792-A1 METHODS AND COMPOSITIONS FOR TREATING CHRONIC INFLAMMATORY INJURY, METAPLASIA, DYSPLASIA AND CANCERS OF EPITHELIAL TISSUES FABP2, MUC1, FABP6 KDM5A 4362/4885KDM4E 4709/4885CYP2C9 4809/4885

“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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