SCHEMBL19344982

SCHEMBL19344982

N#Cc1ccc(C#N)c(N2c3ccccc3C(c3ccccc3)(c3ccccc3)c3ccccc32)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.33
PDK2 Q15119 1/20 0.33
MAOA P21397 4/20 0.33
MAOB P27338 4/20 0.33
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 2/20 0.32
TSHR P16473 1/20 0.32
OPRM1 P35372 2/20 0.31
OPRL1 P41146 2/20 0.31
BACE1 P56817 1/20 0.31
NAMPT P43490 1/20 0.31
AR P10275 2/20 0.30
LMNA P02545 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 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
SCHEMBL19345042 0.89 PGR (0.33) PGRPDK2MAOAMAOBNPSR1
SCHEMBL19344990 0.86 PDK2 (0.42) PGRPDK2NPSR1KDM4E
SCHEMBL20353203 0.85 OPRM1 (0.37) PDK2KDM4ETSHROPRM1OPRL1
SCHEMBL19344985 0.83 PGR (0.43) PGRPDK2NPSR1KDM4EAR
SCHEMBL19345074 0.81 PGR (0.39) PGRPDK2ARLMNAALDH1A1
SCHEMBL13143204 0.80 PGR (0.45) PGRMAOAMAOBNPSR1TSHR
SCHEMBL19345000 0.79 STS (0.39) PGRPDK2
SCHEMBL19344954 0.78 TSHR (0.34) PGRPDK2MAOAMAOBNPSR1
SCHEMBL19344965 0.78 AR (0.37) PGRMAOAMAOBOPRM1OPRL1
SCHEMBL21085446 0.77 PDK2 (0.36) PGRPDK2MAOAMAOBTSHR

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 1 patent. 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

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 PGR 1448/4885PDK2 3947/4885MAOA 2029/4885

“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.