SCHEMBL16077818

SCHEMBL16077818

Cc1c(C(C)C)c(=O)n2ncc(C#N)c2n1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 10/20 0.44
▸ LMNA P02545 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ KDM5B Q9UGL1 2/20 0.38
▸ KDM6B O15054 1/20 0.38
▸ KDM5C P41229 1/20 0.38
▸ KDM5D Q9BY66 1/20 0.38
▸ KDM4C Q9H3R0 1/20 0.38
▸ PHF8 Q9UPP1 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ RXRG P48443 1/20 0.36
▸ TSHR P16473 1/20 0.35

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
SCHEMBL16092268 0.80 KDM5A (0.64) KDM5ALMNAADORA3KDM5BKDM5C
SCHEMBL16047121 0.72 SMN1; SMN2 (0.43) KDM5ALMNAALDH1A1KDM4EHPGD
SCHEMBL16092388 0.72 KDM5A (0.43) KDM5AKDM5BKDM6BKDM5CKDM5D
SCHEMBL16092535 0.70 KDM5A (0.42) KDM5ALMNAKDM5BKDM6BKDM5C
SCHEMBL16092400 0.70 KDM5A (0.44) KDM5AKDM5BKDM6BKDM5CKDM5D
SCHEMBL16092482 0.69 KDM5A (0.60) KDM5ALMNAALDH1A1KDM4EGLA
SCHEMBL16092527 0.69 KDM5A (0.50) KDM5AKDM5BKDM5CKDM4C
SCHEMBL16092476 0.69 KDM5A (0.43) KDM5ALMNAKDM5BKDM6BKDM5C
SCHEMBL16092249 0.69 KDM5A (0.47) KDM5AKDM5BKDM6BKDM5CKDM5D
SCHEMBL16092540 0.69 KDM5A (0.40) KDM5AKDM5BKDM6BKDM5CKDM5D

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
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 1/4885LMNA 2737/4885ADORA3 3374/4885
US-20140275092-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM1B, DOT1L, EHMT1 KDM5A 4/4885LMNA 2354/4885ADORA3 1667/4885
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM5A, KDM5C, KDM5B KDM5A 1/4885LMNA 2737/4885ADORA3 3374/4885
US-20220202792-A1 METHODS AND COMPOSITIONS FOR TREATING CHRONIC INFLAMMATORY INJURY, METAPLASIA, DYSPLASIA AND CANCERS OF EPITHELIAL TISSUES FABP2, MUC1, FABP6 KDM5A 4362/4885LMNA 843/4885ADORA3 3730/4885

“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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