SCHEMBL20980451

SCHEMBL20980451

Cn1ccnc1-c1cccc2cn3cccc3nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR2C P28335 2/20 0.41
HTR2A P28223 1/20 0.41
TGFBR1 P36897 2/20 0.36
KDM4E B2RXH2 4/20 0.34
PKM P14618 1/20 0.34
CDK8 P49336 2/20 0.34
CCNC P24863 1/20 0.34
FLT1 P17948 1/20 0.34
CDK9 P50750 1/20 0.34
LIMK1 P53667 1/20 0.34
ROCK1 Q13464 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34

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
SCHEMBL20980521 0.82 BRD4 (0.43) BRD4NPC1RAB9ASMN1; SMN2HTR2C
SCHEMBL20980547 0.81 NPC1 (0.38) NPC1RAB9ASMN1; SMN2TGFBR1KDM4E
SCHEMBL25712700 0.80 NPC1 (0.41) BRD4NPC1RAB9ASMN1; SMN2HTR2C
SCHEMBL20980487 0.75 KDM4E (0.47) NPC1RAB9ASMN1; SMN2KDM4EPKM
SCHEMBL20980483 0.74 KDM4E (0.38) NPC1RAB9ASMN1; SMN2TGFBR1KDM4E
SCHEMBL5486071 0.70 HTR2C (0.66) BRD4HTR2CHTR2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL4345829 0.67 BRD4 (0.57) BRD4NPC1RAB9AHTR2CHTR2A
SCHEMBL28007783 0.66 BRD4 (0.49) BRD4NPC1RAB9AHTR2CHTR2A
SCHEMBL25712718 0.66 NPC1 (0.36) NPC1RAB9ASMN1; SMN2TGFBR1KDM4E
Hydrochloric Acid SCHEMBL7179318 0.66 HTR2C (0.46) BRD4NPC1RAB9ASMN1; SMN2HTR2C

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 BRD4 574/4885NPC1 3147/4885RAB9A 1983/4885
US-20190135843-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OCIAD2, OPRD1 BRD4 574/4885NPC1 3147/4885RAB9A 1983/4885

“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.