SCHEMBL16077834

SCHEMBL16077834

N#Cc1cnn2c(=O)c3c([nH]c12)CCC3

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 3/20 0.53
▸ PLAT P00750 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ KDM4D Q6B0I6 1/20 0.39
▸ CYP2C9 P11712 1/20 0.37
▸ KDM5B Q9UGL1 1/20 0.37
▸ MAPT P10636 5/20 0.37
▸ LMNA P02545 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HPGD P15428 4/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ TSHR P16473 1/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ POLB P06746 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ BLM P54132 1/20 0.34

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
SCHEMBL16046782 0.97 KDM5A (0.57) KDM5APLATALDH1A1KDM4EKDM4D
SCHEMBL16092306 0.78 PLAT (0.43) KDM5APLATALDH1A1KDM4EKDM4D
SCHEMBL16092450 0.71 PLAT (0.42) KDM5APLATALDH1A1KDM4EKDM4D
SCHEMBL16046987 0.70 KDM5A (0.56) KDM5APLATALDH1A1KDM4EKDM4D
SCHEMBL16050559 0.70 PLAT (0.42) KDM5APLATALDH1A1KDM4EKDM4D
SCHEMBL16045372 0.69 KDM5A (0.51) KDM5APLATALDH1A1KDM4EKDM4D
SCHEMBL16046587 0.69 KDM4D (0.50) PLATALDH1A1KDM4EKDM4DMAPT
SCHEMBL16046669 0.69 KDM5A (0.48) KDM5APLATALDH1A1KDM4EKDM4D
SCHEMBL6623532 0.69 PLAT (0.42) KDM5APLATALDH1A1KDM4EKDM4D
SCHEMBL16046338 0.69 PLAT (0.50) KDM5APLATALDH1A1KDM4EKDM4D

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 1/4885PLAT 4107/4885ALDH1A1 1424/4885
US-20140275092-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM1B, DOT1L, EHMT1 KDM5A 4/4885PLAT 3741/4885ALDH1A1 423/4885
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM5A, KDM5C, KDM5B KDM5A 1/4885PLAT 4107/4885ALDH1A1 1424/4885
US-20220202792-A1 METHODS AND COMPOSITIONS FOR TREATING CHRONIC INFLAMMATORY INJURY, METAPLASIA, DYSPLASIA AND CANCERS OF EPITHELIAL TISSUES FABP2, MUC1, FABP6 KDM5A 4362/4885PLAT 270/4885ALDH1A1 76/4885

“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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