SCHEMBL16077828

SCHEMBL16077828

CCOC(=O)Cc1c(C)[nH]c2c(C#N)c(C)nn2c1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 10/20 0.59
▸ ALDH1A1 P00352 6/20 0.59
▸ HPGD P15428 5/20 0.59
▸ HSD17B10 Q99714 4/20 0.59
▸ CYP2C9 P11712 2/20 0.47
▸ L3MBTL1 Q9Y468 4/20 0.41
▸ HTT P42858 3/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ GAA P10253 2/20 0.40
▸ USP2 O75604 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ STAT6 P42226 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ KDM4D Q6B0I6 1/20 0.38
▸ PLAT P00750 1/20 0.37

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
SCHEMBL16077819 0.82 HPGD (0.47) KDM4EALDH1A1HPGDHSD17B10CYP2C9
SCHEMBL16048098 0.80 KDM4D (0.43) KDM4EALDH1A1HPGDHSD17B10CYP2C9
SCHEMBL16046281 0.79 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10CYP2C9
SCHEMBL5826980 0.79 L3MBTL1 (0.41) KDM4EALDH1A1HPGDHSD17B10CYP2C9
SCHEMBL16077829 0.78 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10CYP2C9
SCHEMBL24556939 0.78 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10CYP2C9
SCHEMBL16046401 0.74 KDM4D (0.40) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL16046971 0.73 KDM4D (0.41) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL16077838 0.73 KDM4D (0.39) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL16077820 0.70 KDM5A (0.43) KDM4EALDH1A1HPGDHSD17B10HTT

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 12/4885ALDH1A1 1424/4885HPGD 1427/4885
US-20140275092-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM1B, DOT1L, EHMT1 KDM4E 27/4885ALDH1A1 423/4885HPGD 440/4885
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM5A, KDM5C, KDM5B KDM4E 12/4885ALDH1A1 1424/4885HPGD 1427/4885
US-20220202792-A1 METHODS AND COMPOSITIONS FOR TREATING CHRONIC INFLAMMATORY INJURY, METAPLASIA, DYSPLASIA AND CANCERS OF EPITHELIAL TISSUES FABP2, MUC1, FABP6 KDM4E 4709/4885ALDH1A1 76/4885HPGD 388/4885

“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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