SCHEMBL1129401

SCHEMBL1129401

COc1cc(C(=O)c2ccccc2)ccc1Br

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.77
CYP2C19 P33261 2/20 0.77
HPGD P15428 2/20 0.77
CYP2D6 P10635 1/20 0.77
ALDH1A1 P00352 2/20 0.62
CYP3A4 P08684 2/20 0.58
CYP2C9 P11712 1/20 0.58
TSHR P16473 1/20 0.58
PTGS1 P23219 1/20 0.56
PTGS2 P35354 1/20 0.56
SLC22A6 Q4U2R8 1/20 0.54
SLC22A8 Q8TCC7 1/20 0.54
GAA P10253 1/20 0.54
ACHE P22303 4/20 0.53
BCHE P06276 3/20 0.53
ATM Q13315 3/20 0.51
SCD O00767 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 2/20 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
SCHEMBL31164292 1.00 CYP1A2 (0.77) CYP1A2CYP2C19HPGDCYP2D6ALDH1A1
SCHEMBL28114733 0.91 ALDH1A1 (0.72) CYP1A2CYP2C19HPGDCYP2D6ALDH1A1
SCHEMBL1818634 0.87 CYP1A2 (1.00) CYP1A2CYP2C19HPGDCYP2D6ALDH1A1
SCHEMBL1333620 0.84 CYP1A2 (0.81) CYP1A2CYP2C19HPGDCYP2D6ALDH1A1
SCHEMBL644265 0.82 CA12 (0.69) CYP1A2CYP2C19HPGDCYP2D6ALDH1A1
SCHEMBL28794374 0.82 CYP1A2 (0.60) CYP1A2CYP2C19HPGDCYP2D6ALDH1A1
SCHEMBL1545793 0.81 SLC22A6 (0.83) CYP1A2CYP2C19HPGDCYP2D6ALDH1A1
SCHEMBL257510 0.81 CYP1A2 (0.64) CYP1A2CYP2C19HPGDCYP2D6ALDH1A1
SCHEMBL4610035 0.80 CYP1A2 (0.62) CYP1A2CYP2C19HPGDCYP2D6ALDH1A1
SCHEMBL7802440 0.80 HPGD (0.62) CYP1A2CYP2C19HPGDCYP2D6ALDH1A1

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-8481733-B2 Substituted imidazopyr- and imidazotri-azines OSI Pharmaceuticals, LLC (US) 2013-07-09 US disclosed
EP-2283020-B1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI PHARM INC (US) 2012-10-31 EP disclosed
EP-2283020-A1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI Pharmaceuticals, Inc. (US) 2011-02-16 EP disclosed
WO-2009143051-A1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI PHARMACEUTICALS, INC. (US) 2009-11-26 WO disclosed
US-20090286768-A1 SUBSTITUTED IMIDAZOPYR- AND IMIDAZOTRI-AZINES OSI PHARMACEUTICALS, INC. (US) 2009-11-19 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-20090286768-A1 SUBSTITUTED IMIDAZOPYR- AND IMIDAZOTRI-AZINES ABL1, TPMT, CYP2C19 CYP1A2 27/4885CYP2C19 3/4885HPGD 1283/4885

“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.