SCHEMBL21128564

SCHEMBL21128564

Cc1ccccc1-c1cccc(-c2cncn2C)c1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.57
LDLR P01130 1/20 0.43
PCSK9 Q8NBP7 1/20 0.43
HTR2C P28335 1/20 0.43
HPGDS O60760 1/20 0.43
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
BRD4 O60885 1/20 0.38
CYP3A4 P08684 3/20 0.38
HTR6 P50406 3/20 0.38
HTR2A P28223 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
PGGT1B P53609 1/20 0.37

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
SCHEMBL19732321 0.88 IDO1 (0.57) IDO1LDLRPCSK9HTR2CHPGDS
SCHEMBL20646497 0.88 IDO1 (0.66) IDO1LDLRPCSK9HTR2CHPGDS
SCHEMBL21128503 0.82 IDO1 (0.48) IDO1LDLRPCSK9HTR2CHPGDS
SCHEMBL19726602 0.76 IDO1 (0.51) IDO1LDLRPCSK9HTR2CHPGDS
SCHEMBL19726613 0.76 IDO1 (0.51) IDO1LDLRPCSK9HTR2CHPGDS
SCHEMBL21128561 0.76 IDO1 (0.44) IDO1LDLRPCSK9HTR2CHPGDS
SCHEMBL3710027 0.73 HTR2C (0.61) IDO1LDLRPCSK9HTR2CHPGDS
SCHEMBL31326499 0.73 IDO1 (1.00) IDO1LDLRPCSK9HTR2CHPGDS
SCHEMBL21128380 0.70 CYP17A1 (0.50) CYP11B1CYP11B2CYP3A4CYP1A2CYP2D6
SCHEMBL9701669 0.70 TSHR (0.45) IDO1BRD4CYP3A4CYP1A2CYP2D6

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-11233205-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2022-01-25 US disclosed
US-20190189939-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2019-06-20 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-20190189939-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OCIAD2, OSTC IDO1 2470/4885LDLR 1227/4885PCSK9 3790/4885
US-11233205-B2 Organic electroluminescent materials and devices OCIAD1, OCIAD2, OSTC IDO1 2470/4885LDLR 1227/4885PCSK9 3790/4885

“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.