SCHEMBL19345280

SCHEMBL19345280

N#Cc1cc(C#N)cc(-c2ccc(N3c4ccccc4Oc4ccccc43)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.35
PGR P06401 3/20 0.34
USP2 O75604 1/20 0.34
FAAH O00519 1/20 0.33
MGLL Q99685 1/20 0.33
CYP19A1 P11511 1/20 0.33
ALDH1A1 P00352 1/20 0.32
P2RX4 Q99571 1/20 0.32

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
SCHEMBL19344963 0.89 PGR (0.40) PGRUSP2
SCHEMBL19340269 0.88 P2RX4 (0.33) GRM5CYP19A1ALDH1A1P2RX4
SCHEMBL19344950 0.86 P2RX4 (0.36) ALDH1A1P2RX4
SCHEMBL19344991 0.86 ALDH1A1 (0.39) GRM5PGRFAAHMGLLALDH1A1
SCHEMBL22302366 0.85 MYC (0.40) USP2
SCHEMBL17955010 0.85 PGR (0.33) PGRUSP2ALDH1A1
SCHEMBL19344969 0.84 ELANE (0.42) PGR
SCHEMBL9093126 0.84 P2RX4 (0.39) FAAHMGLLP2RX4
SCHEMBL17279223 0.83 ABCG2 (0.39) PGRUSP2
SCHEMBL17279224 0.83 ABCG2 (0.39) PGRUSP2

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 GRM5 3993/4885PGR 1448/4885USP2 4548/4885

“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.