SCHEMBL13523637

SCHEMBL13523637

Cc1ncc(C(C)C)cc1C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.38
CHRNB4 P30926 4/20 0.38
CHRNA3 P32297 4/20 0.38
CHRNA4 P43681 4/20 0.38
KDM5A P29375 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
EGFR P00533 2/20 0.35
ERBB2 P04626 2/20 0.35
AR P10275 5/20 0.33
MCL1 Q07820 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PGR P06401 1/20 0.31
LMNA P02545 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 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
SCHEMBL14225098 0.81 ALDH1A1 (0.40) KDM5ASMN1; SMN2NPC1ALDH1A1POLB
SCHEMBL3507834 0.79 CYP11B2 (0.36) KDM5ASMN1; SMN2NPC1ALDH1A1POLB
SCHEMBL84576 0.79 P2RX3 (0.41) SMN1; SMN2NPC1ALDH1A1POLBHPGD
SCHEMBL16248214 0.77 EGFR (0.40) SMN1; SMN2NPC1ALDH1A1POLBHPGD
SCHEMBL20738304 0.77 AR (0.37) KDM5ASMN1; SMN2NPC1ALDH1A1POLB
SCHEMBL7215518 0.75 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL15599168 0.75 LMNA (0.43) SMN1; SMN2NPC1ALDH1A1POLBHPGD
SCHEMBL20642353 0.75 AR (0.42) SMN1; SMN2NPC1ALDH1A1POLBHPGD
SCHEMBL21030732 0.74 NPC1 (0.35) KDM5ASMN1; SMN2NPC1ALDH1A1POLB
SCHEMBL18068121 0.74 AR (0.38) SMN1; SMN2NPC1ALDH1A1POLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11091464-B2 Pyridazinone compounds and uses thereof EDGEWISE THERAPEUTICS, INC. (US) 2021-08-17 US disclosed
US-10711011-B2 Substituted oxazolidines as anti-bacterial agents Bugworks Research, Inc. (US) 2020-07-14 US disclosed
US-20190292199-A1 HETEROCYCLIC COMPOUNDS USEFUL AS ANTI-BACTERIAL AGENTS AND METHOD FOR PRODUCTION Bugworks Research, Inc. 2019-09-26 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 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-20190292199-A1 HETEROCYCLIC COMPOUNDS USEFUL AS ANTI-BACTERIAL AGENTS AND METHOD FOR PRODUCTION ALPI, UROD, HLA-C CHRNB2 4798/4885CHRNB4 4715/4885CHRNA3 4578/4885
US-10711011-B2 Substituted oxazolidines as anti-bacterial agents ALPI, HLA-A, HLA-B CHRNB2 4644/4885CHRNB4 4548/4885CHRNA3 4367/4885
US-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS CHRNB2 4660/4885CHRNB4 4683/4885CHRNA3 4804/4885
US-11091464-B2 Pyridazinone compounds and uses thereof IL6, IL1B, IL1A CHRNB2 272/4885CHRNB4 477/4885CHRNA3 229/4885

“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.