SCHEMBL16046974

SCHEMBL16046974

CCc1c(C(=O)OCc2ccccc2)[nH]c2c(C#N)cnn2c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.50
▸ POLB P06746 1/20 0.50
▸ ATM Q13315 1/20 0.50
▸ MAPT P10636 1/20 0.47
▸ STAT1 P42224 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ KDM5A P29375 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MAPK1 P28482 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ PLAT P00750 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ NR4A1 P22736 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 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
SCHEMBL16047833 0.87 KDM4E (0.48) RAB9APOLBATMMAPTKDM5A
SCHEMBL16048319 0.82 KDM5A (0.49) POLBNPSR1KDM5AKMT2AHPGD
SCHEMBL16077833 0.81 KDM5A (0.42) KDM5ASMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL16092385 0.79 KDM5A (0.48) POLBKDM5AKMT2AHPGDPLAT
SCHEMBL16047337 0.79 KDM4E (0.47) RAB9APOLBATMMAPTKDM5A
SCHEMBL16046157 0.78 KDM5A (0.46) ATMMAPTNPSR1KDM5AHPGD
SCHEMBL16050798 0.76 KDM5A (0.44) POLBKDM5AKMT2AHPGDPLAT
SCHEMBL16045799 0.76 KDM5A (0.47) POLBKDM5AHPGDPLATALDH1A1
SCHEMBL16092553 0.74 KDM5A (0.46) KDM5AMAPK1HPGDPLATALDH1A1
SCHEMBL16077817 0.73 KDM4E (0.48) ATMMAPTNPSR1KDM5ASMN1; SMN2

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 13 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-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
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
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 RAB9A 3592/4885POLB 2395/4885ATM 1841/4885
US-20140275092-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM1B, DOT1L, EHMT1 RAB9A 3357/4885POLB 932/4885ATM 2595/4885
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM5A, KDM5C, KDM5B RAB9A 3592/4885POLB 2395/4885ATM 1841/4885
US-20220202792-A1 METHODS AND COMPOSITIONS FOR TREATING CHRONIC INFLAMMATORY INJURY, METAPLASIA, DYSPLASIA AND CANCERS OF EPITHELIAL TISSUES FABP2, MUC1, FABP6 RAB9A 2799/4885POLB 1434/4885ATM 1548/4885

“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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