SCHEMBL29318060

SCHEMBL29318060

Nc1cncc(OCC2CCCCC2)c1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 4/20 0.44
PARP15 Q460N3 3/20 0.44
CDK2 P24941 2/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
NFE2L2 Q16236 1/20 0.41
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40

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
SCHEMBL20554028 0.82 PRKCZ (0.37) CHRNB2CHRNA4
SCHEMBL188620 0.81 CHRNB2 (0.58) PARP10PARP15CHRNB2CHRNA4CHRNB4
SCHEMBL12509137 0.77 TLR4 (0.45) PARP10PARP15CHRNB2CHRNB4CHRNA3
SCHEMBL7419188 0.76 CHRNB2 (0.68) CHRNB2CHRNA4
SCHEMBL7414932 0.76 CHRNB2 (0.68) CHRNB2CHRNA4
SCHEMBL14941165 0.75 CHRNB2 (0.59) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL12557244 0.75 CHRNB2 (0.61) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL4569107 0.75 TLR4 (0.52) PARP10PARP15
SCHEMBL29960864 0.75 ACHE (0.53)
SCHEMBL28512442 0.75 ACHE (0.53)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239756-A1 NOVEL 3, 5-DISUBSTITUTED PYRIDINE AND 3, 5-DISUBSTITUTED PYRIDAZINE DERIVATIVES AND PHARMACEUTICAL USE OF SAME MITSUBISHI TANABE PHARMA CORPORATION (JP) 2024-07-18 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 (1 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-20240239756-A1 NOVEL 3, 5-DISUBSTITUTED PYRIDINE AND 3, 5-DISUBSTITUTED PYRIDAZINE DERIVATIVES AND PHARMACEUTICAL USE OF SAME ENPP2, SSB, PLPBP PARP10 1234/4885PARP15 716/4885CDK2 4227/4885

“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.