SCHEMBL4454573

SCHEMBL4454573

C1CCNC(CCN2CCCCCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.44
CHRM5 P08912 2/20 0.44
ADRA2C P18825 2/20 0.44
HTR1A P08908 2/20 0.44
HTR2A P28223 2/20 0.44
KCNH2 Q12809 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
MLNR O43193 1/20 0.44
ABCB11 O95342 1/20 0.44
EGFR P00533 1/20 0.44
FYN P06241 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
ADRA2A P08913 1/20 0.44

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
SCHEMBL7961057 1.00 CYP1A2 (0.48) CYP1A2CYP2D6CHRM5ADRA2CHTR1A
SCHEMBL5683177 1.00 CYP1A2 (0.48) CYP1A2CYP2D6CHRM5ADRA2CHTR1A
SCHEMBL8333360 0.98 CYP1A2 (0.46) CYP1A2CYP2D6CHRM5ADRA2CHTR1A
SCHEMBL11300211 0.92 CXCR4 (0.44) CYP1A2CYP2D6CHRM5ADRA2CHTR1A
SCHEMBL9676237 0.87 CXCR4 (0.49) CYP1A2CYP2D6CHRM5ADRA2CHTR1A
SCHEMBL27980795 0.86 CXCR4 (0.51) CYP1A2CYP2D6CHRM5ADRA2CHTR1A
SCHEMBL18183309 0.85 HTR1A (0.40) CYP1A2CYP2D6CHRM5ADRA2CHTR1A
SCHEMBL24322571 0.83 ACHE (0.43) CYP1A2CYP2D6CHRM5ADRA2CHTR1A
SCHEMBL31058271 0.83 CYP1A2 (0.43) CYP1A2CYP2D6CHRM5ADRA2CHTR1A
SCHEMBL24322374 0.83 ACHE (0.43) CYP1A2CYP2D6CHRM5ADRA2CHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7632840-B2 Quinazoline compounds for the treatment of hyperproliferative disorders ASTRAZENECA AB (SE) 2009-12-15 US disclosed
EP-1713781-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2008-11-05 EP disclosed
US-20070293490-A1 Quinazoline Derivatives ASTRAZENECA AB (SE) 2007-12-20 US disclosed
EP-1713781-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2006-10-25 EP disclosed
WO-2005075439-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-08-18 WO 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-20070293490-A1 Quinazoline Derivatives CCNA1, CCND3, CCND2 CYP1A2 160/4885CYP2D6 473/4885CHRM5 233/4885

“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.