SCHEMBL3933344

SCHEMBL3933344

[CH]1[CH]Nc2ccncc2C1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
IDO1 P14902 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL3937251 0.84 CHRNB2 (0.38) CHRNB2CHRNA4SIGMAR1
SCHEMBL737230 0.79
SCHEMBL2879383 0.76 CHRNB2 (0.38) CHRNB2CHRNA4SIGMAR1GAAMAPT
SCHEMBL587237 0.69 CHRNB2 (0.39) CHRNB2CHRNA4SIGMAR1GAAMAPT
SCHEMBL444016 0.68 CHRNB2 (0.42) CHRNB2CHRNA4SIGMAR1GAAMAPT
SCHEMBL549069 0.64
SCHEMBL29844361 0.64
SCHEMBL28850751 0.63 PDE3B (0.35) CHRNB2CHRNA4SIGMAR1GAAMAPT
SCHEMBL736650 0.63
SCHEMBL3154784 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7557130-B2 Bicyclic heteroaromatic alanines UCB PHARMA, S.A. (BE) 2009-07-07 US disclosed
US-20040209913-A1 e.g., 3-[1-(3,5-Dichloroisonicotinoyl)-2,3-dihydro-1 H-indol-5-yl]-2-[(3-oxo-spiro[3.5]non-1-en-1-yl)amino]-propanoate; modulating cell adhesion for the prophylaxis or treatment of inflammatory diseases or disorders, such as rheumatoid arthritis, in which the extravasculation of leukocytes plays a role. UCB PHARMA S.A. (BE) 2004-10-21 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-20040209913-A1 e.g., 3-[1-(3,5-Dichloroisonicotinoyl)-2,3-dihydro-1 H-indol-5-yl]-2-[(3-oxo-spiro[3.5]non-1-en-1-yl)amino]-propanoate; modulating cell adhesion for the prophylaxis or treatment of inflammatory diseases or disorders, such as rheumatoid arthritis, in which the extravasculation of leukocytes plays a role. ICAM1, VCAM1, CCR1 CHRNB2 432/4885CHRNA4 256/4885SIGMAR1 170/4885

“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.