SCHEMBL16077820

SCHEMBL16077820

CCc1c(C)[nH]c2c(C#N)c(N)nn2c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 5/20 0.43
▸ HPGD P15428 5/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ FPR1 P21462 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KDM4E B2RXH2 10/20 0.41
▸ ALDH1A1 P00352 7/20 0.39
▸ HSD17B10 Q99714 6/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ APOBEC3G Q9HC16 1/20 0.39
▸ KDM4D Q6B0I6 2/20 0.36
▸ POLB P06746 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PLAT P00750 1/20 0.32

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 0.86 HPGD (0.47) KDM5AHPGDCYP1A2FPR1CYP2C19
SCHEMBL16048098 0.76 KDM4D (0.43) KDM5AHPGDCYP1A2FPR1CYP2C19
SCHEMBL16046597 0.72 KDM5A (0.38) KDM5AHPGDCYP1A2FPR1CYP2C19
SCHEMBL9211760 0.72 KDM4D (0.42) KDM5AHPGDCYP1A2FPR1CYP2C19
SCHEMBL16046987 0.71 KDM5A (0.56) KDM5AHPGDCYP1A2FPR1CYP2C19
SCHEMBL16046971 0.71 KDM4D (0.41) KDM5AHPGDCYP1A2FPR1CYP2C19
SCHEMBL16077828 0.70 KDM4E (0.59) HPGDCYP2C19KDM4EALDH1A1HSD17B10
SCHEMBL20076019 0.70 ALDH1A1 (0.45) KDM5AHPGDCYP1A2FPR1CYP2C19
SCHEMBL16046401 0.69 KDM4D (0.40) KDM5AHPGDCYP1A2FPR1CYP2C19
SCHEMBL16077838 0.69 KDM4D (0.39) KDM5AHPGDCYP1A2FPR1CYP2C19

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
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
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 1/4885HPGD 1427/4885CYP1A2 1325/4885
US-20140275092-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM1B, DOT1L, EHMT1 KDM5A 4/4885HPGD 440/4885CYP1A2 462/4885
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM5A, KDM5C, KDM5B KDM5A 1/4885HPGD 1427/4885CYP1A2 1325/4885
US-20220202792-A1 METHODS AND COMPOSITIONS FOR TREATING CHRONIC INFLAMMATORY INJURY, METAPLASIA, DYSPLASIA AND CANCERS OF EPITHELIAL TISSUES FABP2, MUC1, FABP6 KDM5A 4362/4885HPGD 388/4885CYP1A2 3260/4885

“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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