SCHEMBL2860701

SCHEMBL2860701

Oc1ccc(-c2ccc(Oc3ccccc3)nn2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.43
ESR2 Q92731 8/20 0.43
BCAT2 O15382 1/20 0.43
HSD17B1 P14061 2/20 0.39
HSD17B2 P37059 2/20 0.39
HSD17B14 Q9BPX1 3/20 0.38
MGLL Q99685 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GPR84 Q9NQS5 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
SCHEMBL2858796 0.81 PTGES (0.52) BCAT2MGLLKDM4ELMNAHSD17B10
SCHEMBL22307864 0.74 XDH (0.43) BCAT2KDM4EMAPK1GPR84
SCHEMBL2859702 0.72 MET (0.50) ESR1ESR2HSD17B1HSD17B2HSD17B14
SCHEMBL4276104 0.71 BCAT2 (0.75) BCAT2KDM4ENPC1CYP1A2CYP2C9
SCHEMBL7077805 0.70 LTA4H (0.54)
Phenol SCHEMBL5710589 0.69 BCAT2 (0.62) ESR1ESR2BCAT2KDM4EHSD17B10
SCHEMBL7332762 0.68 SRD5A2 (0.47) KDM4ELMNAHSD17B10NPC1CYP1A2
SCHEMBL23943388 0.68 HSD17B14 (0.65) ESR1ESR2HSD17B1HSD17B2HSD17B14
SCHEMBL30510874 0.68 HSD17B14 (0.65) ESR1ESR2HSD17B1HSD17B2HSD17B14
SCHEMBL8477872 0.68 HSD17B1 (0.74) ESR1ESR2HSD17B1HSD17B2MGLL

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
EP-1827434-B1 QUINOLINES AND QUINAZOLINE ANALOGS AND THEIR USE AS MEDICAMENTS FOR TREATING CANCER AMGEN INC (US) 2014-01-15 EP disclosed
US-7652009-B2 Substituted heterocycles and methods of use AMGEM INC. (US) 2010-01-26 US disclosed
EP-1827434-A2 QUINOLINES AND QUINAZOLINE ANALOGS AND THEIR USE AS MEDICAMENTS FOR TREATING CANCER Amgen Inc. (US) 2007-09-05 EP disclosed
US-20060252777-A1 Substituted heterocycles and methods of use AMGEN INC. (US) 2006-11-09 US disclosed
WO-2006060318-A2 QUINOLINES AND QUINAZOLINE ANALOGS AND THEIR USE AS MEDICAMENTS FOR TREATING CANCER AMGEN INC. (US) 2006-06-08 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-20060252777-A1 Substituted heterocycles and methods of use HGF, HGFAC, MET ESR1 2299/4885ESR2 1151/4885BCAT2 1073/4885

“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.