SCHEMBL20980488

SCHEMBL20980488

Cc1cn(C)c(-c2cccc3cn4ccnc4cc23)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 6/20 0.43
TGFBR2 P37173 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2A P28223 1/20 0.38
RORC P51449 2/20 0.35
MC4R P32245 1/20 0.35
FLT1 P17948 1/20 0.33
CDK8 P49336 1/20 0.33
CDK9 P50750 1/20 0.33
LIMK1 P53667 1/20 0.33
ROCK1 Q13464 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
DYRK1A Q13627 1/20 0.33
BRD4 O60885 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
AXL P30530 1/20 0.31

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
SCHEMBL20980507 0.83 TGFBR1 (0.43) TGFBR1TGFBR2HTR2CHTR2AFLT1
SCHEMBL25712784 0.79 DYRK1A (0.36) TGFBR1TGFBR2DYRK1AKEAP1
SCHEMBL20980469 0.78 KDM4E (0.44) TGFBR1NPC1RAB9ASMN1; SMN2AXL
SCHEMBL20980510 0.75 CYP11B2 (0.35) HTR2CMC4R
SCHEMBL1104802 0.68 DYRK1A (0.45) TGFBR1TGFBR2CDK8ROCK1DYRK1A
SCHEMBL25712761 0.67 TGFBR1 (0.35) TGFBR1DYRK1ANPC1RAB9ASMN1; SMN2
SCHEMBL21084240 0.64 TGFBR1 (0.60) TGFBR1TGFBR2
SCHEMBL20980451 0.64 BRD4 (0.42) TGFBR1HTR2CHTR2AMC4RFLT1
SCHEMBL24160899 0.63 DRD1 (0.41) TGFBR1TGFBR2HTR2CHTR2ABRD4
SCHEMBL5486071 0.63 HTR2C (0.66) HTR2CHTR2ABRD4KEAP1

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-11214587-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2022-01-04 US disclosed
US-20190135843-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2019-05-09 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-11214587-B2 Organic electroluminescent materials and devices OCIAD1, OCIAD2, OPRD1 TGFBR1 4705/4885TGFBR2 4769/4885HTR2C 802/4885
US-20190135843-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OCIAD2, OPRD1 TGFBR1 4705/4885TGFBR2 4769/4885HTR2C 802/4885

“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.