SCHEMBL3915545

SCHEMBL3915545

O=c1[nH]cncc1-c1ccc(O)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.49
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP17A1 P05093 3/20 0.43
CYP3A4 P08684 2/20 0.43
CYP19A1 P11511 2/20 0.43
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
HSD17B1 P14061 3/20 0.42
FGFR1 P11362 1/20 0.42
FGFR2 P21802 1/20 0.42
HSD17B2 P37059 2/20 0.41
ESR2 Q92731 2/20 0.41
ERCC1 P07992 1/20 0.40
ERCC4 Q92889 1/20 0.40
ESR1 P03372 1/20 0.38
DYRK1A Q13627 1/20 0.38
GRK6 P43250 1/20 0.38
ACLY P53396 1/20 0.38

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
Bromide SCHEMBL9142238 0.84 QDPR (0.44) IDO1CYP17A1CYP3A4CYP19A1CYP11B1
SCHEMBL31618382 0.75 IDO1 (0.61) IDO1CYP17A1CYP3A4CYP19A1CYP11B1
SCHEMBL3923741 0.72 IDO1 (0.49) IDO1CYP3A4
SCHEMBL12263263 0.70 MKNK1 (0.47) KDM4E
SCHEMBL9141285 0.70 KMT2A (0.55) KDM4ECYP17A1DYRK1A
SCHEMBL9564854 0.70 ALDH1A1 (0.44) KDM4ELMNACYP3A4
SCHEMBL6764983 0.70 CYP3A4 (0.53) IDO1KDM4EHSD17B10CYP17A1CYP3A4
SCHEMBL31618364 0.69 PARP1 (0.41) IDO1CYP19A1CYP11B2
SCHEMBL30494467 0.69 RPS6KA3 (0.52) CYP17A1CYP3A4CYP19A1CYP11B1CYP11B2
SCHEMBL26462970 0.69 RPS6KA3 (0.52) CYP17A1CYP3A4CYP19A1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053931-A1 QUINOLINE COMPOUNDS AND METHODS OF USE GAUDINO JOHN 2011-03-03 US disclosed
EP-2032538-A2 QUINOLINE COMPOUNDS AND METHODS OF USE Array Biopharma, Inc. (US) 2009-03-11 EP disclosed
WO-2007146824-A2 QUINOLINE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2007-12-21 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-20110053931-A1 QUINOLINE COMPOUNDS AND METHODS OF USE TK1, ABL1, ROR1 IDO1 1283/4885KDM4E 4233/4885LMNA 1139/4885

“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.