SCHEMBL17930295

SCHEMBL17930295

Cc1ccccc1-c1ccc2nccn2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 6/20 0.64
AXL P30530 3/20 0.55
FLT3 P36888 3/20 0.55
MERTK Q12866 3/20 0.55
DYRK1A Q13627 2/20 0.54
FLT1 P17948 1/20 0.49
CDK8 P49336 1/20 0.49
CDK9 P50750 1/20 0.49
LIMK1 P53667 1/20 0.49
ROCK1 Q13464 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
PDE4A P27815 1/20 0.48
PDE3A Q14432 1/20 0.48
CYP3A4 P08684 1/20 0.47
HPGD P15428 1/20 0.47
NFKB1 P19838 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TGFBR2 P37173 1/20 0.46

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
SCHEMBL15730182 0.83 TGFBR1 (0.64) TGFBR1AXLFLT3MERTKDYRK1A
SCHEMBL26175287 0.81 KIT (0.58) TGFBR1AXLFLT3MERTKCDK8
SCHEMBL17934721 0.80 TGFBR1 (0.56) TGFBR1AXLFLT3MERTKDYRK1A
SCHEMBL21084225 0.79 TGFBR1 (1.00) TGFBR1TGFBR2
SCHEMBL1576521 0.78 DYRK1A (0.73) TGFBR1AXLFLT3MERTKDYRK1A
SCHEMBL31040013 0.77 DYRK1A (0.58) TGFBR1AXLFLT3MERTKDYRK1A
SCHEMBL15723967 0.77 TGFBR1 (0.57) TGFBR1AXLFLT3MERTKDYRK1A
SCHEMBL14826052 0.77 DYRK1A (0.85) TGFBR1AXLFLT3MERTKDYRK1A
SCHEMBL30639468 0.76 DYRK1A (0.55) TGFBR1AXLFLT3MERTKDYRK1A
SCHEMBL15639573 0.76 TGFBR1 (0.56) TGFBR1AXLFLT3MERTKDYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170282170-A9 PHOSPHORUS-CONTAINING CATALYSTS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-10-05 US disclosed
US-20160207034-A1 PHOSPHORUS-CONTAINING CATALYSTS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-07-21 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 (2 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-20160207034-A1 PHOSPHORUS-CONTAINING CATALYSTS AR, NR2C2, ORC3 TGFBR1 659/4885AXL 2322/4885FLT3 2917/4885
US-20170282170-A9 PHOSPHORUS-CONTAINING CATALYSTS AR, NR2C2, ORC3 TGFBR1 659/4885AXL 2322/4885FLT3 2917/4885

“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.