SCHEMBL16080794

SCHEMBL16080794

Cc1[nH]c2c(C#N)cnn2c(=O)c1-c1cc2ccccc2[nH]c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 3/20 0.40
▸ CHEK1 O14757 1/20 0.40
▸ PDGFRB P09619 1/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ KDM4D Q6B0I6 1/20 0.38
▸ PIM1 P11309 2/20 0.37
▸ CDK5 Q00535 3/20 0.36
▸ CDK5R1 Q15078 3/20 0.36
▸ KDM4E B2RXH2 6/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HPGD P15428 3/20 0.36
▸ MDM2 Q00987 1/20 0.36
▸ GALR3 O60755 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ HSD17B10 Q99714 3/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ IDH1 O75874 1/20 0.36
▸ GLA P06280 1/20 0.35
▸ MAPK1 P28482 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
SCHEMBL16077837 0.81 KDM4E (0.45) KDRFGFR1KDM4DKDM4EALDH1A1
SCHEMBL16092479 0.79 MDM2 (0.52) KDRCHEK1FGFR1KDM4DPIM1
SCHEMBL16050364 0.73 KDM5A (0.41) BRD4KDM4DKDM4EALDH1A1HPGD
SCHEMBL17549511 0.72 KDM5A (0.38) KDRCHEK1BRD4KDM4DPLAT
SCHEMBL16077817 0.71 KDM4E (0.48) KDM4DKDM4EALDH1A1GAAGLA
SCHEMBL16046587 0.71 KDM4D (0.50) KDM4DCDK5CDK5R1KDM4EALDH1A1
SCHEMBL16046987 0.70 KDM5A (0.56) KDM4DKDM4EALDH1A1HPGDHSD17B10
SCHEMBL16050559 0.69 PLAT (0.42) KDRKDM4DKDM4EALDH1A1HPGD
SCHEMBL16046669 0.68 KDM5A (0.48) KDM4DKDM4EALDH1A1HPGDGAA
SCHEMBL16047831 0.67 KDM5A (0.45) KDM4DPLAT

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 5 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

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 KDR 3787/4885CHEK1 1799/4885PDGFRB 2964/4885
US-20140275092-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM1B, DOT1L, EHMT1 KDR 4612/4885CHEK1 2518/4885PDGFRB 2682/4885
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM5A, KDM5C, KDM5B KDR 3787/4885CHEK1 1799/4885PDGFRB 2964/4885
US-20220202792-A1 METHODS AND COMPOSITIONS FOR TREATING CHRONIC INFLAMMATORY INJURY, METAPLASIA, DYSPLASIA AND CANCERS OF EPITHELIAL TISSUES FABP2, MUC1, FABP6 KDR 3559/4885CHEK1 1893/4885PDGFRB 682/4885

“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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