SCHEMBL1961949

SCHEMBL1961949

COCc1cnc2[nH]ccc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.64
FGFR1 P11362 2/20 0.64
BRD4 O60885 1/20 0.49
ABL1 P00519 2/20 0.48
RIPK1 Q13546 2/20 0.47
CDK8 P49336 9/20 0.46
AXL P30530 2/20 0.46
PIK3CD O00329 1/20 0.45
PIK3CA P42336 1/20 0.45
PIK3CB P42338 1/20 0.45
PIK3CG P48736 1/20 0.45
NUDT1 P36639 1/20 0.41
PLK4 O00444 2/20 0.40
ROCK2 O75116 2/20 0.40
PRKD3 O94806 2/20 0.40
MAP4K4 O95819 2/20 0.40
INSR P06213 2/20 0.40
CDK1 P06493 2/20 0.40
ROS1 P08922 2/20 0.40
FER P16591 2/20 0.40

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
SCHEMBL91324 0.81 KDR (0.60) KDRFGFR1BRD4ABL1RIPK1
SCHEMBL29858603 0.81 KDR (0.60) KDRFGFR1BRD4ABL1RIPK1
SCHEMBL12148212 0.80 CDK8 (0.54) KDRFGFR1BRD4ABL1RIPK1
SCHEMBL3350182 0.79 KDR (0.52) KDRFGFR1BRD4ABL1RIPK1
SCHEMBL28810839 0.79 KDR (0.52) KDRFGFR1BRD4ABL1RIPK1
SCHEMBL28278975 0.78 KDR (0.51) KDRFGFR1ABL1RIPK1CDK8
SCHEMBL29590039 0.78 KDR (0.51) KDRFGFR1ABL1RIPK1CDK8
SCHEMBL10325793 0.78 KDR (0.55) KDRFGFR1BRD4ABL1RIPK1
SCHEMBL3400528 0.78 KDR (0.57) KDRFGFR1BRD4ABL1RIPK1
SCHEMBL11990128 0.78 KDR (0.66) KDRFGFR1BRD4ABL1RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102686587-B Azaindole glucokinase activators HOFFMANN LA ROCHE 2015-05-27 CN disclosed
EP-2513103-A1 AZAINDOLE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2012-10-24 EP disclosed
US-20120245174-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-09-27 US disclosed
CN-102686587-A Azaindole glucokinase activators HOFFMANN LA ROCHE 2012-09-19 CN disclosed
US-8222416-B2 Azaindole glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-07-17 US disclosed
US-8198273-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-06-12 US disclosed
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US disclosed
WO-2011073117-A1 AZAINDOLE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 WO disclosed
US-20110144105-A1 AZAINDOLE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2011-06-16 US disclosed
US-20100286142-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor PLEXXIKON, INC. 2010-11-11 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 (4 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-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS BRAF, RAF1, ARAF KDR 1406/4885FGFR1 129/4885BRD4 2367/4885
US-20110144105-A1 AZAINDOLE GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 KDR 2991/4885FGFR1 3805/4885BRD4 1959/4885
US-20100286142-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor BRAF, ARAF, RAF1 KDR 730/4885FGFR1 255/4885BRD4 2104/4885
US-20120245174-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, RAF1 KDR 730/4885FGFR1 255/4885BRD4 2104/4885

“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.