SCHEMBL13804604

SCHEMBL13804604

Cc1ccc(Oc2ccc(NC(C)C)cc2C)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.42
SLC6A4 P31645 5/20 0.42
KCNH2 Q12809 4/20 0.41
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40
PGR P06401 2/20 0.39
AR P10275 2/20 0.39
TBXA2R P21731 2/20 0.37
CARM1 Q86X55 3/20 0.36
PRMT6 Q96LA8 3/20 0.36
PARG Q86W56 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
STK39 Q9UEW8 1/20 0.36

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
SCHEMBL13814713 0.81 HTR2A (0.42) HTR2ASLC6A4KCNH2SCN5ASCN9A
SCHEMBL6961006 0.81 ERBB2 (0.54) KCNH2SCN5ASCN9A
SCHEMBL14586641 0.81 TEAD4 (0.48) HTR2ASLC6A4KCNH2SCN5ASCN9A
SCHEMBL6961127 0.79 PGR (0.49) PGRARSMN1; SMN2
SCHEMBL27428997 0.78 MAPT (0.45) SMN1; SMN2
SCHEMBL446449 0.77 AR (0.47) HTR2ASLC6A4KCNH2AR
SCHEMBL21340879 0.75 SLC6A4 (0.40) HTR2ASLC6A4KCNH2PARGNPC1
SCHEMBL13011575 0.75 TEAD4 (0.50) HTR2ASLC6A4KCNH2ARSMN1; SMN2
SCHEMBL28452075 0.74 SLC6A4 (0.45) HTR2ASLC6A4KCNH2AR
SCHEMBL3530110 0.72 TDP1 (0.54) PGRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity SHIONOGI & CO., LTD. (JP) 2009-06-04 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-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity ERBB2, EGFR, ABL1 HTR2A 435/4885SLC6A4 1036/4885KCNH2 1995/4885

“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.