SCHEMBL16045372

SCHEMBL16045372

Cc1nn2c(=O)c3c([nH]c2c1C#N)CCCC3

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 1/20 0.51
▸ PLAT P00750 1/20 0.44
▸ PARP1 P09874 2/20 0.43
▸ KDM4D Q6B0I6 1/20 0.43
▸ PDE9A O76083 1/20 0.42
▸ ALDH1A1 P00352 9/20 0.42
▸ KDM4E B2RXH2 7/20 0.42
▸ MAPT P10636 4/20 0.38
▸ LMNA P02545 3/20 0.38
▸ POLB P06746 2/20 0.38
▸ HPGD P15428 6/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ APOBEC3G Q9HC16 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ PPARG P37231 2/20 0.36
▸ NCOR2 Q9Y618 2/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MEN1 O00255 3/20 0.35

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
SCHEMBL16046982 0.83 KDM5A (0.48) KDM5APARP1KDM4DPDE9AALDH1A1
SCHEMBL20427616 0.81 KDM5A (0.36) KDM5APLATPARP1KDM4DPDE9A
SCHEMBL16046782 0.72 KDM5A (0.57) KDM5APLATPARP1KDM4DPDE9A
SCHEMBL16077819 0.72 HPGD (0.47) KDM5APLATKDM4DALDH1A1KDM4E
SCHEMBL23635357 0.72 KDM5A (0.42) KDM5APLATPDE9AALDH1A1KDM4E
SCHEMBL23635355 0.71 KDM5A (0.42) KDM5APLATPDE9AALDH1A1KDM4E
SCHEMBL16048098 0.70 KDM4D (0.43) KDM5APLATKDM4DALDH1A1KDM4E
SCHEMBL23635387 0.70 KDM5A (0.40) KDM5APLATPDE9AALDH1A1KDM4E
SCHEMBL16077834 0.69 KDM5A (0.53) KDM5APLATPARP1KDM4DPDE9A
SCHEMBL16047451 0.69 KDM4D (0.44) KDM5APLATKDM4DALDH1A1KDM4E

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 KDM5A 1/4885PLAT 4107/4885PARP1 386/4885
US-20140275092-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM1B, DOT1L, EHMT1 KDM5A 4/4885PLAT 3741/4885PARP1 238/4885
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM5A, KDM5C, KDM5B KDM5A 1/4885PLAT 4107/4885PARP1 386/4885
US-20220202792-A1 METHODS AND COMPOSITIONS FOR TREATING CHRONIC INFLAMMATORY INJURY, METAPLASIA, DYSPLASIA AND CANCERS OF EPITHELIAL TISSUES FABP2, MUC1, FABP6 KDM5A 4362/4885PLAT 270/4885PARP1 1543/4885

“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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