SCHEMBL26532559

SCHEMBL26532559

Cc1cnc(-c2ccc(C)c(-c3cc(C#N)cc(C#N)c3)c2)cc1C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 9/20 0.42
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ CTSK P43235 1/20 0.37
▸ ABL1 P00519 1/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CLK4 Q9HAZ1 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35

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
SCHEMBL26532556 0.90 CYP11B2 (0.43) GRM5CYP11B1CYP11B2CTSKABL1
SCHEMBL26555707 0.80 CTSK (0.40) CYP11B1CYP11B2CTSKABL1MAPK14
SCHEMBL26532564 0.77 CTSS (0.40) CYP11B1CYP11B2CTSKABL1
SCHEMBL19454850 0.77 LDHA (0.47) CYP1A2ALDH1A1CYP3A4
SCHEMBL26532553 0.76 ABL1 (0.43) GRM5ABL1CYP1A2CYP3A4MAPK14
SCHEMBL26532558 0.74 RXRA (0.38) ABL1CYP1A2MAPK14
SCHEMBL22080310 0.74 NPC1 (0.53) CTSK
SCHEMBL26532566 0.73 CYP11B1 (0.43) CYP11B1CYP11B2CYP1A2ALDH1A1
SCHEMBL26532554 0.72 ALOX5AP (0.40) ABL1CYP1A2ALDH1A1HSD17B10
SCHEMBL26627039 0.72 NPC1 (0.36) ABL1CYP3A4

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-20230345811-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-10-26 — — US disclosed
US-20230138288-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-05-04 — — 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-20230138288-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, RUVBL2, LBR GRM5 2153/4885CYP11B1 1121/4885CYP11B2 702/4885
US-20230345811-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OPRD1, L1CAM, OPRM1 GRM5 3314/4885CYP11B1 2335/4885CYP11B2 2440/4885

“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.

Send feedback