SCHEMBL16077837

SCHEMBL16077837

Cc1[nH]c2c(C#N)cnn2c(=O)c1-c1nc2ccccc2[nH]c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.45
▸ HSD17B10 Q99714 3/20 0.45
▸ CASP1 P29466 2/20 0.45
▸ CASP7 P55210 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ RAB9A P51151 5/20 0.44
▸ NPC1 O15118 4/20 0.41
▸ LMNA P02545 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ KDM4D Q6B0I6 1/20 0.38
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ ALKBH3 Q96Q83 1/20 0.37
▸ SLC11A2 P49281 1/20 0.36
▸ MDM2 Q00987 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ FLT1 P17948 1/20 0.36
▸ ALDH1A1 P00352 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
SCHEMBL16080794 0.81 KDR (0.40) KDM4EHSD17B10L3MBTL1RAB9ANPC1
SCHEMBL16092479 0.79 MDM2 (0.52) KDM4EHSD17B10GLAKDM4DKMT2A
SCHEMBL16050364 0.73 KDM5A (0.41) KDM4EHSD17B10CASP1L3MBTL1LMNA
SCHEMBL16046587 0.71 KDM4D (0.50) KDM4EL3MBTL1RAB9ANPC1KDM4D
SCHEMBL16050559 0.69 PLAT (0.42) KDM4EHSD17B10LMNAGLAKDM4D
SCHEMBL7807373 0.69 KDM4E (0.64) KDM4EHSD17B10CASP1CASP7L3MBTL1
SCHEMBL16077817 0.69 KDM4E (0.48) KDM4EGLAKDM4DALKBH3ALDH1A1
SCHEMBL16046987 0.67 KDM5A (0.56) KDM4EHSD17B10LMNAKDM4DALDH1A1
SCHEMBL16047831 0.67 KDM5A (0.45) KDM4D
SCHEMBL20427594 0.67 MDM2 (0.47) KDM4EHSD17B10L3MBTL1GLAKDM4D

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 KDM4E 12/4885HSD17B10 1406/4885CASP1 3037/4885
US-20140275092-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM1B, DOT1L, EHMT1 KDM4E 27/4885HSD17B10 1115/4885CASP1 3157/4885
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM5A, KDM5C, KDM5B KDM4E 12/4885HSD17B10 1406/4885CASP1 3037/4885
US-20220202792-A1 METHODS AND COMPOSITIONS FOR TREATING CHRONIC INFLAMMATORY INJURY, METAPLASIA, DYSPLASIA AND CANCERS OF EPITHELIAL TISSUES FABP2, MUC1, FABP6 KDM4E 4709/4885HSD17B10 2805/4885CASP1 1150/4885

“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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