SCHEMBL16047833

SCHEMBL16047833

CCOC(=O)c1[nH]c2c(C#N)cnn2c(=O)c1CC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 10/20 0.48
▸ ALDH1A1 P00352 6/20 0.48
▸ HSD17B10 Q99714 3/20 0.48
▸ HPGD P15428 2/20 0.48
▸ KDM5A P29375 4/20 0.48
▸ POLB P06746 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ KMT2A Q03164 3/20 0.40
▸ KDM4C Q9H3R0 1/20 0.40
▸ CYP2C9 P11712 2/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAP2K1 Q02750 2/20 0.38
▸ GLA P06280 1/20 0.37
▸ ATM Q13315 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
SCHEMBL16047337 0.91 KDM4E (0.47) KDM4EALDH1A1HSD17B10HPGDKDM5A
SCHEMBL6624656 0.90 KDM4E (0.46) KDM4EALDH1A1HSD17B10HPGDKDM5A
SCHEMBL16046974 0.87 RAB9A (0.50) KDM4EALDH1A1HSD17B10HPGDKDM5A
SCHEMBL16048319 0.86 KDM5A (0.49) KDM4EALDH1A1HSD17B10HPGDKDM5A
SCHEMBL16092385 0.85 KDM5A (0.48) KDM4EALDH1A1HSD17B10HPGDKDM5A
SCHEMBL16046199 0.83 KDM5A (0.46) KDM4EALDH1A1HSD17B10HPGDKDM5A
SCHEMBL16050798 0.82 KDM5A (0.44) KDM4EALDH1A1HSD17B10HPGDKDM5A
SCHEMBL16045799 0.82 KDM5A (0.47) KDM4EALDH1A1HSD17B10HPGDKDM5A
SCHEMBL16046987 0.80 KDM5A (0.56) KDM4EALDH1A1HSD17B10HPGDKDM5A
SCHEMBL16077829 0.80 KDM4E (0.51) KDM4EALDH1A1HSD17B10HPGDKDM5A

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 20 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
EP-2970307-B1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-03-11 — — EP disclosed
US-10035801-B2 Pyrazolo compounds and uses thereof GENENTECH, INC. (US) 2018-07-31 — — US disclosed
US-10035801-B2 Pyrazolo compounds and uses thereof GENENTECH, INC. (US) 2018-07-31 — — US disclosed
US-10035801-B2 Pyrazolo compounds and uses thereof GENENTECH, INC. (US) 2018-07-31 — — US disclosed
US-20180042905-A1 METHODS OF TREATING HEPATITIS B VIRUS GILEAD SCIENCES, INC. 2018-02-15 — — US disclosed
US-20180042905-A1 METHODS OF TREATING HEPATITIS B VIRUS GILEAD SCIENCES, INC. 2018-02-15 — — US disclosed
US-20160303095-A1 METHODS OF TREATING HEPATITIS B VIRUS GILEAD SCIENCES, INC. 2016-10-20 — — US disclosed
US-20160303095-A1 METHODS OF TREATING HEPATITIS B VIRUS GILEAD SCIENCES, INC. 2016-10-20 — — US disclosed
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-03-03 — — US disclosed
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-03-03 — — US disclosed
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-03-03 — — US disclosed
EP-2970307-A1 PYRAZOLO COMPOUNDS AND USES THEREOF Genentech, Inc. (US) 2016-01-20 — — EP disclosed
WO-2015135094-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2015-09-17 — — 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
WO-2014139326-A1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2014-09-18 — — WO 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 (6 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 1424/4885HSD17B10 1406/4885
US-20180042905-A1 METHODS OF TREATING HEPATITIS B VIRUS KDM1B, KDM5B, KDM5A KDM4E 25/4885ALDH1A1 923/4885HSD17B10 568/4885
US-20140275092-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM1B, DOT1L, EHMT1 KDM4E 27/4885ALDH1A1 423/4885HSD17B10 1115/4885
US-20160303095-A1 METHODS OF TREATING HEPATITIS B VIRUS KDM1B, KDM5B, KDM5A KDM4E 25/4885ALDH1A1 923/4885HSD17B10 568/4885
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM5A, KDM5C, KDM5B KDM4E 12/4885ALDH1A1 1424/4885HSD17B10 1406/4885
US-20220202792-A1 METHODS AND COMPOSITIONS FOR TREATING CHRONIC INFLAMMATORY INJURY, METAPLASIA, DYSPLASIA AND CANCERS OF EPITHELIAL TISSUES FABP2, MUC1, FABP6 KDM4E 4709/4885ALDH1A1 76/4885HSD17B10 2805/4885

“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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