SCHEMBL14703669

SCHEMBL14703669

CCn1cncc(C(C)C)c1=O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GABRA5 P31644 1/20 0.35
▸ HTR6 P50406 2/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ RAB9A P51151 3/20 0.34
▸ HSP90AA1 P07900 2/20 0.34
▸ HSP90AB1 P08238 2/20 0.34
▸ KDM5A P29375 1/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ BTK Q06187 1/20 0.32
▸ NPC1 O15118 2/20 0.31
▸ TSHR P16473 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ CASP3 P42574 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ RELA Q04206 1/20 0.31
▸ SENP8 Q96LD8 1/20 0.31
▸ SENP7 Q9BQF6 1/20 0.31
▸ SENP6 Q9GZR1 1/20 0.31

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
SCHEMBL12794259 0.77 HSP90AA1 (0.55) HSP90AA1HSP90AB1SMN1; SMN2
SCHEMBL12536545 0.76 CYP11B1 (0.48) HSP90AA1HSP90AB1TSHRALDH1A1
SCHEMBL23505846 0.75 RAB9A (0.35) GABRA5HTR6HTR7RAB9ASMN1; SMN2
SCHEMBL15185708 0.75 GABRA5 (0.38) GABRA5HTR6HTR7RAB9AKDM5A
SCHEMBL18651547 0.75 KDM5A (0.35) GABRA5HSP90AA1HSP90AB1KDM5ANFKB1
SCHEMBL14706266 0.75 GABRA5 (0.38) GABRA5HTR6HTR7RAB9ASMN1; SMN2
SCHEMBL20962568 0.73 GABRA5 (0.37) GABRA5HTR6HTR7RAB9ASMN1; SMN2
SCHEMBL23505865 0.73 HTR7 (0.38) GABRA5HTR6HTR7RAB9ASMN1; SMN2
SCHEMBL18250264 0.72 HTR7 (0.35) GABRA5HTR6HTR7HSP90AA1HSP90AB1
SCHEMBL24449323 0.72 HSP90AA1 (0.34) RAB9AHSP90AA1HSP90AB1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9850239-B2 Pyrazolo[3,4-c]pyridine compounds and methods of use GENENTECH, INC. (US) 2017-12-26 — — US disclosed
US-20160159797-A1 PYRAZOLO[3,4-c]PYRIDINE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2016-06-09 — — US disclosed
US-20130039906-A1 PYRAZOLO[3,4-c]PYRIDINE COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2013-02-14 — — 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 (2 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-20130039906-A1 PYRAZOLO[3,4-c]PYRIDINE COMPOUNDS AND METHODS OF USE PIM1, PIM3, PIM2 GABRA5 3626/4885HTR6 3727/4885HTR7 3234/4885
US-20160159797-A1 PYRAZOLO[3,4-c]PYRIDINE COMPOUNDS AND METHODS OF USE PIM1, PIM3, PIM2 GABRA5 3626/4885HTR6 3727/4885HTR7 3234/4885

“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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