SCHEMBL3400528

SCHEMBL3400528

CNCc1cnc2[nH]ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.57
FGFR1 P11362 1/20 0.57
ABL1 P00519 1/20 0.49
CDK8 P49336 7/20 0.47
AXL P30530 2/20 0.47
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
PIK3CG P48736 1/20 0.46
RIPK1 Q13546 2/20 0.45
KLKB1 P03952 5/20 0.45
BRD4 O60885 1/20 0.43
KLK1 P06870 3/20 0.42
NUDT1 P36639 1/20 0.42
MAP4K4 O95819 2/20 0.41
CHEK2 O96017 2/20 0.41
CDK1 P06493 2/20 0.41
FES P07332 2/20 0.41
ROS1 P08922 2/20 0.41
FER P16591 2/20 0.41

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
SCHEMBL1570836 0.84 KDR (0.49) KDRFGFR1ABL1CDK8AXL
SCHEMBL10283341 0.83 KDR (0.55) KDRFGFR1ABL1CDK8AXL
SCHEMBL91324 0.82 KDR (0.60) KDRFGFR1ABL1CDK8AXL
SCHEMBL29858603 0.82 KDR (0.60) KDRFGFR1ABL1CDK8AXL
SCHEMBL11990128 0.79 KDR (0.66) KDRFGFR1ABL1CDK8AXL
SCHEMBL24240780 0.79 KDR (0.56) KDRFGFR1ABL1CDK8AXL
SCHEMBL1869919 0.79 CDK8 (0.63) KDRFGFR1ABL1CDK8AXL
SCHEMBL11968468 0.79 KDR (0.56) KDRFGFR1ABL1CDK8AXL
SCHEMBL14638748 0.79 KDR (0.56) KDRFGFR1ABL1CDK8AXL
SCHEMBL3348784 0.79 CDK8 (0.63) KDRFGFR1ABL1CDK8AXL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250162-B1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2014-03-19 EP disclosed
US-8536221-B2 Amide derivatives as positive allosteric modulators and methods of use thereof ABBVIE INC. (US) 2013-09-17 US disclosed
CN-101990537-A Amide derivatives as positive allosteric modulators and methods of use thereof ABBOTT LAB 2011-03-23 CN disclosed
EP-2250162-A2 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF Abbott Laboratories (US) 2010-11-17 EP disclosed
US-20090270408-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-10-29 US disclosed
WO-2009100294-A2 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-08-13 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-20090270408-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF CHRNA2, CHRNA4, CHRNA5 KDR 3637/4885FGFR1 3627/4885ABL1 3262/4885

“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.