SCHEMBL8778324

SCHEMBL8778324

Cc1ccc(-c2ncc3ccccc3n2)nc1Cc1cccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.40
ADRA2A P08913 3/20 0.39
ADRA2B P18089 3/20 0.39
ADRA2C P18825 3/20 0.39
ADRA1D P25100 2/20 0.39
ADRA1A P35348 2/20 0.39
ADRA1B P35368 2/20 0.39
P2RX3 P56373 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP3A4 P08684 3/20 0.38
CYP2C19 P33261 3/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.36
ABL1 P00519 2/20 0.35
SRC P12931 2/20 0.35
RIPK2 O43353 1/20 0.35
PRKD3 O94806 1/20 0.35

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
SCHEMBL8778361 0.89 CYP1A2 (0.39) CYP1A2ALDH1A1LMNACYP3A4CYP2C19
SCHEMBL3781985 0.86 AR (0.36) CYP1A2LMNA
SCHEMBL8778454 0.85 CYP1A2 (0.36) CYP1A2KDM4EALDH1A1LMNACYP3A4
SCHEMBL8778331 0.85 RXFP1 (0.37) CYP1A2ALDH1A1LMNA
SCHEMBL8778460 0.85 PTPN11 (0.36) CYP1A2ALDH1A1CYP3A4CYP2C19CYP2C9
SCHEMBL8778396 0.83 LMNA (0.38) CYP1A2KDM4EALDH1A1LMNAMAPK1
SCHEMBL8778433 0.83 CYP1A2 (0.36) CYP1A2LMNAMAPK1
SCHEMBL8865669 0.82 AR (0.36) CYP1A2ALDH1A1CYP3A4CYP2C19CYP2D6
SCHEMBL3786388 0.82 CYP1A2 (0.40) CYP1A2KDM4EALDH1A1LMNA
SCHEMBL8778287 0.81 CYP1A2 (0.36) CYP1A2KDM4EALDH1A1LMNACYP2C19

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-20120129875-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-05-24 US disclosed
US-20120129875-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-05-24 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-20120129875-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES NAT1, NQO2, NOX1 CYP1A2 18/4885ADRA2A 3188/4885ADRA2B 2972/4885

“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.