SCHEMBL14110361

SCHEMBL14110361

Cc1cc(C2CCCN2C(=N)N)on1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.61
▸ CHRNB4 P30926 1/20 0.61
▸ CHRNA3 P32297 1/20 0.61
▸ CHRNA7 P36544 1/20 0.61
▸ CHRNA4 P43681 1/20 0.61
▸ EPHX2 P34913 1/20 0.52
▸ SPHK2 Q9NRA0 7/20 0.42
▸ SPHK1 Q9NYA1 5/20 0.42

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
SCHEMBL3852158 0.82 SPHK2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL8118536 0.82 CHRNB2 (0.62) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL8114296 0.76 CHRNB2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL8121446 0.76 CHRNB2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Abt-418 SCHEMBL8114587 0.76 CHRNB2 (1.00) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Abt-418 SCHEMBL194161 0.76 CHRNB2 (1.00) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Abt-418 SCHEMBL2911067 0.76 CHRNB2 (1.00) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3850077 0.75 SPHK2 (0.50) SPHK2SPHK1
Abt-418 SCHEMBL7130413 0.75 CHRNB2 (0.97) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Abt-418 SCHEMBL7586948 0.75 CHRNB2 (0.97) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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-20080167297-A1 Pyrimidine Derivatives for Use as Anticancer Agents ASTRAZENECA AB (SE) 2008-07-10 — — US disclosed
US-20080161330-A1 Pyrimidines as Igf-I Inhibitors ASTRAZENECA AB (SE) 2008-07-03 — — 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-20080167297-A1 Pyrimidine Derivatives for Use as Anticancer Agents IGF1R, TYMP, IGFBP1 CHRNB2 4819/4885CHRNB4 4840/4885CHRNA3 4704/4885
US-20080161330-A1 Pyrimidines as Igf-I Inhibitors IGF1R, IGFBP1, IGFBP2 CHRNB2 4427/4885CHRNB4 4595/4885CHRNA3 3894/4885

“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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