SCHEMBL2361373

SCHEMBL2361373

COc1ccccc1-c1nc(N)c2ccccc2n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 15/20 0.65
CYP3A4 P08684 12/20 0.65
CYP2D6 P10635 12/20 0.65
TSHR P16473 9/20 0.65
HSD17B10 Q99714 8/20 0.65
USP2 O75604 8/20 0.65
LMNA P02545 7/20 0.65
ALDH1A1 P00352 7/20 0.65
CYP2C19 P33261 7/20 0.65
ALOX15 P16050 7/20 0.65
MAPK1 P28482 4/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
KDM4E B2RXH2 2/20 0.65
TDP1 Q9NUW8 2/20 0.65
TP53 P04637 1/20 0.65
ADORA2A P29274 1/20 0.60
CYP1A1 P04798 2/20 0.58
CYP1B1 Q16678 2/20 0.58
CLK4 Q9HAZ1 4/20 0.58
DHFR P00374 1/20 0.55

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
SCHEMBL14529152 0.84 CYP1A2 (0.63) CYP1A2CYP3A4CYP2D6TSHRHSD17B10
SCHEMBL14529381 0.84 DHFR (0.57) CYP1A2CYP3A4CYP2D6TSHRHSD17B10
SCHEMBL13300204 0.83 CYP1A2 (0.51) CYP1A2CYP3A4CYP2D6TSHRHSD17B10
SCHEMBL2333301 0.81 CYP1A2 (0.65) CYP1A2CYP3A4CYP2D6TSHRHSD17B10
SCHEMBL1084998 0.81 CYP1A2 (0.65) CYP1A2CYP3A4CYP2D6TSHRHSD17B10
SCHEMBL13769228 0.80 CYP1A2 (0.47) CYP1A2CYP3A4CYP2D6TSHRHSD17B10
SCHEMBL18654157 0.80 CYP1A2 (0.63) CYP1A2CYP3A4CYP2D6TSHRHSD17B10
SCHEMBL938193 0.79 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6TSHRHSD17B10
SCHEMBL34467231 0.79 CYP1A2 (0.62) CYP1A2CYP3A4CYP2D6TSHRHSD17B10
SCHEMBL12491743 0.78 CYP1A1 (0.56) CYP1A2TSHRHSD17B10LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324226-B2 Therapeutic oxy-phenyl-aryl compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-12-04 US disclosed
EP-2227460-B1 THERAPEUTIC OXY-PHENYL-ARYL COMPOUNDS AND THEIR USE CANCER REC TECH LTD (GB) 2012-06-20 EP disclosed
US-20110201592-A1 Therapeutic Oxy-Phenyl-Aryl Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-08-18 US disclosed
EP-2227460-A1 THERAPEUTIC OXY-PHENYL-ARYL COMPOUNDS AND THEIR USE Cancer Research Technology Limited (GB) 2010-09-15 EP disclosed
EP-1474147-B1 PYRIMIDINE-BASED COMPOUNDS USEFUL AS GSK-3 INHIBITORS VERTEX PHARMA (US) 2010-05-05 EP disclosed
EP-1784393-B1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2009-07-01 EP disclosed
WO-2009053694-A1 THERAPEUTIC OXY-PHENYL-ARYL COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-04-30 WO disclosed
EP-1318814-B1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2007-05-30 EP 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-20110201592-A1 Therapeutic Oxy-Phenyl-Aryl Compounds and Their Use CHEK2, CHEK1, PLK1 CYP1A2 1846/4885CYP3A4 3486/4885CYP2D6 2800/4885

“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.