SCHEMBL16077819

SCHEMBL16077819

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 7/20 0.47
▸ KDM5A P29375 5/20 0.47
▸ FPR1 P21462 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ KDM4D Q6B0I6 2/20 0.44
▸ PLAT P00750 1/20 0.43
▸ KDM4E B2RXH2 11/20 0.41
▸ ALDH1A1 P00352 8/20 0.41
▸ HSD17B10 Q99714 5/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ APOBEC3G Q9HC16 1/20 0.41
▸ LMNA P02545 3/20 0.37
▸ MAPT P10636 1/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ APAF1 O14727 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ NOD2 Q9HC29 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
SCHEMBL16048098 0.89 KDM4D (0.43) HPGDKDM5AFPR1CYP1A2CYP2C19
SCHEMBL16077820 0.86 KDM5A (0.43) HPGDKDM5AFPR1CYP1A2CYP2C19
SCHEMBL9211760 0.85 KDM4D (0.42) HPGDKDM5AFPR1CYP1A2CYP2C19
SCHEMBL16046971 0.84 KDM4D (0.41) HPGDKDM5AFPR1CYP1A2CYP2C19
SCHEMBL16077828 0.82 KDM4E (0.59) HPGDCYP2C19KDM4DPLATKDM4E
SCHEMBL16046401 0.82 KDM4D (0.40) HPGDKDM5AFPR1CYP1A2CYP2C19
SCHEMBL16077838 0.81 KDM4D (0.39) HPGDKDM5AFPR1CYP1A2CYP2C19
SCHEMBL16046281 0.80 KDM4E (0.46) HPGDKDM5AFPR1CYP1A2CYP2C19
SCHEMBL16047451 0.77 KDM4D (0.44) HPGDKDM5AFPR1CYP1A2CYP2C19
SCHEMBL16046597 0.74 KDM5A (0.38) HPGDKDM5AFPR1CYP1A2CYP2C19

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 HPGD 1427/4885KDM5A 1/4885FPR1 3420/4885
US-20140275092-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM1B, DOT1L, EHMT1 HPGD 440/4885KDM5A 4/4885FPR1 2804/4885
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM5A, KDM5C, KDM5B HPGD 1427/4885KDM5A 1/4885FPR1 3420/4885
US-20220202792-A1 METHODS AND COMPOSITIONS FOR TREATING CHRONIC INFLAMMATORY INJURY, METAPLASIA, DYSPLASIA AND CANCERS OF EPITHELIAL TISSUES FABP2, MUC1, FABP6 HPGD 388/4885KDM5A 4362/4885FPR1 752/4885

“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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