SCHEMBL4476489

SCHEMBL4476489

[O]CC#CCN1CCCC1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.74
CHRM1 P11229 10/20 0.54
CHRM2 P08172 9/20 0.54
CHRM4 P08173 9/20 0.54
CHRM5 P08912 9/20 0.54
CHRM3 P20309 9/20 0.54
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL892987 0.86 LMNA (1.00) LMNACHRM1CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL9093331 0.83 LMNA (0.93) LMNACHRM1CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL3757253 0.83 LMNA (0.93) LMNACHRM1CHRM2CHRM4CHRM5
SCHEMBL9733197 0.83 LMNA (0.93) LMNACHRM1CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL6081619 0.83 LMNA (0.93) LMNACHRM1CHRM2CHRM4CHRM5
SCHEMBL3274800 0.78 POLB (0.50) LMNACHRM1CHRM2CHRM4CHRM5
SCHEMBL21540333 0.76
SCHEMBL20507245 0.75 LMNA (0.67) LMNACHRM1CHRM2CHRM4CHRM5
SCHEMBL3162750 0.75 LMNA (0.77) LMNACHRM1CHRM2CHRM4CHRM5
SCHEMBL964866 0.74 LMNA (0.74) LMNACHRM1CHRM2CHRM4CHRM5

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-7625908-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2009-12-01 US disclosed
US-20070244136-A1 Quinazoline Derivatives ASTRAZENECA AB (SE) 2007-10-18 US disclosed
US-20070032508-A1 Quinazoline derivatives as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2007-02-08 US disclosed
US-20070015743-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2007-01-18 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 (3 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-20070015743-A1 Quinazoline derivatives as antitumor agents ERBB2, ABL1, EGFR LMNA 3500/4885CHRM1 4685/4885CHRM2 4779/4885
US-20070244136-A1 Quinazoline Derivatives ERBB2, ABL1, MKI67 LMNA 3865/4885CHRM1 1919/4885CHRM2 2392/4885
US-20070032508-A1 Quinazoline derivatives as tyrosine kinase inhibitors ABL1, ERBB2, LCK LMNA 4401/4885CHRM1 2601/4885CHRM2 3277/4885

“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.