SCHEMBL19340283

SCHEMBL19340283

N#Cc1cc(N2c3ccccc3C(c3ccccc3)(c3ccccc3)c3ccccc32)cc(C#N)c1-c1c(C#N)cc(N2c3ccccc3C(c3ccccc3)(c3ccccc3)c3ccccc32)cc1C#N

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
LMNA P02545 3/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AR P10275 3/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
KDM4E B2RXH2 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRL1 P41146 1/20 0.30

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
SCHEMBL19345008 0.86 AR (0.34) LMNAALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL19340284 0.85 PDK2 (0.35) ITGB2ICAM1ITGALLMNAALDH1A1
SCHEMBL19344954 0.84 TSHR (0.34) ITGB2ICAM1ITGALLMNASMN1; SMN2
SCHEMBL19344965 0.83 AR (0.37) LMNAALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL19340280 0.82 PGR (0.39) ITGB2ICAM1ITGALLMNAMAPK1
SCHEMBL20353203 0.81 OPRM1 (0.37) LMNAALDH1A1SMN1; SMN2KDM4EOPRM1
SCHEMBL19340273 0.80 PGR (0.33) LMNA
SCHEMBL18411320 0.79 SMN1; SMN2 (0.33) ALDH1A1MAPK1SMN1; SMN2KDM4E
SCHEMBL13143204 0.79 PGR (0.45) LMNAMAOAMAOBOPRM1OPRL1
SCHEMBL18411325 0.78 KDM4E (0.31) KDM4E

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-20170263871-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND ORGANIC OPTOELECTRONIC DEVICE TIANMA MICRO-ELECTRONICS CO., LTD. (CN) 2017-09-14 US disclosed
US-20170263871-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND ORGANIC OPTOELECTRONIC DEVICE TIANMA MICRO-ELECTRONICS CO., LTD. (CN) 2017-09-14 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 (1 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-20170263871-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND ORGANIC OPTOELECTRONIC DEVICE OR10J3, RPS10, OR51E2 ITGB2 49/4885ICAM1 296/4885ITGAL 34/4885

“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.