SCHEMBL16077817

SCHEMBL16077817

Cc1[nH]c2c(C#N)cnn2c(=O)c1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ FPR1 P21462 2/20 0.48
▸ GAA P10253 2/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ CYP3A4 P08684 1/20 0.46
▸ MAPT P10636 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ GLA P06280 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ KDM5A P29375 2/20 0.42
▸ ALKBH3 Q96Q83 3/20 0.41
▸ KDM4D Q6B0I6 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ PDE3B Q13370 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38

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
SCHEMBL16046157 0.84 KDM5A (0.46) KDM4ECYP2C9FPR1GAACYP2D6
SCHEMBL16046987 0.82 KDM5A (0.56) KDM4EFPR1CYP2C19KDM5AKDM4D
SCHEMBL16046669 0.80 KDM5A (0.48) KDM4EGAAKDM5AKDM4DHTT
SCHEMBL16046173 0.79 KDM5A (0.44) KDM4EGAACYP2C19KDM5AKDM4D
SCHEMBL16046333 0.79 KDM5A (0.45) KDM4EGAAMAPTKDM5AKDM4D
SCHEMBL9204181 0.79 KDM4E (0.45) KDM4EGAAKDM5AKDM4DHTT
SCHEMBL16092479 0.79 MDM2 (0.52) KDM4ECYP2C9GAAGLAKDM5A
SCHEMBL16046175 0.78 KDM5A (0.43) KDM4EGAAMAPTNPSR1KDM5A
SCHEMBL16047855 0.77 KDM5A (0.43) KDM4ECYP2C9FPR1GAACYP2D6
SCHEMBL16047275 0.76 KDM5A (0.47) KDM4EGAAGLAKDM5AKDM4D

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
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

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 KDM4E 12/4885CYP2C9 2344/4885FPR1 3420/4885
US-20140275092-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM1B, DOT1L, EHMT1 KDM4E 27/4885CYP2C9 929/4885FPR1 2804/4885
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM5A, KDM5C, KDM5B KDM4E 12/4885CYP2C9 2344/4885FPR1 3420/4885
US-20220202792-A1 METHODS AND COMPOSITIONS FOR TREATING CHRONIC INFLAMMATORY INJURY, METAPLASIA, DYSPLASIA AND CANCERS OF EPITHELIAL TISSUES FABP2, MUC1, FABP6 KDM4E 4709/4885CYP2C9 4809/4885FPR1 752/4885

“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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