SCHEMBL2859702

SCHEMBL2859702

Oc1ccc(-c2ccc(Cc3ccccc3)nn2)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.50
KDR P35968 1/20 0.50
MST1R Q04912 1/20 0.50
CYP11B1 P15538 2/20 0.47
CYP11B2 P19099 2/20 0.47
CYP17A1 P05093 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP19A1 P11511 1/20 0.47
MGLL Q99685 2/20 0.44
ESR1 P03372 6/20 0.43
ESR2 Q92731 6/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
IDH1 O75874 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KCNMA1 Q12791 1/20 0.37
BCL2 P10415 1/20 0.37

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
SCHEMBL2862956 0.80 MET (0.69) METKDRMST1RCYP17A1MGLL
SCHEMBL28328291 0.73 ALDH1A1 (0.59) METKDRMST1RCYP11B1CYP11B2
SCHEMBL2860701 0.72 ESR1 (0.43) MGLLESR1ESR2HSD17B1HSD17B2
SCHEMBL27620854 0.70 IDH1 (0.68) CYP11B1CYP11B2CYP17A1CYP3A4CYP19A1
SCHEMBL10217406 0.68 CYP11B1 (0.57) METKDRMST1RCYP11B1CYP11B2
SCHEMBL833876 0.68 CYP17A1 (0.80) CYP11B1CYP11B2CYP17A1CYP3A4CYP19A1
SCHEMBL8477872 0.68 HSD17B1 (0.74) CYP11B1CYP11B2CYP17A1CYP3A4CYP19A1
SCHEMBL31549497 0.68 HSD17B1 (0.74) CYP11B1CYP11B2CYP17A1CYP3A4CYP19A1
SCHEMBL21346784 0.67 SNCA (0.58) CYP11B1CYP11B2CYP17A1CYP3A4CYP19A1
SCHEMBL10217402 0.65 CYP11B1 (0.63) METCYP11B1CYP11B2ALDH1A1KDM4E

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 MET 3/4885KDR 231/4885MST1R 815/4885

“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.