SCHEMBL21929181

SCHEMBL21929181

Cc1cc(C)cc(-c2ccc3c4ccc(-c5cc(C)cc(C)c5)cc4n(-c4cc(-c5cccc(C#N)c5)c(-n5c6cc(-c7cc(C)cc(C)c7)ccc6c6ccc(-c7cc(C)cc(C)c7)cc65)cn4)c3c2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.37
PIK3CA P42336 1/20 0.37
GRM5 P41594 2/20 0.37
SYK P43405 1/20 0.37
KIT P10721 1/20 0.37
CYP1A2 P05177 4/20 0.36
CYP3A4 P08684 3/20 0.36
ALDH1A1 P00352 3/20 0.36
CLK4 Q9HAZ1 3/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
PLG P00747 1/20 0.36
PLAU P00749 1/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
ELANE P08246 1/20 0.36
MAP4K4 O95819 1/20 0.35
DHFR P00374 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 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
SCHEMBL21929182 0.96 GRM5 (0.36) NTRK1PIK3CAGRM5SYKKIT
SCHEMBL21928976 0.95 CYP1A2 (0.40) NTRK1PIK3CAGRM5KITCYP1A2
SCHEMBL21931684 0.93 KIT (0.37) NTRK1PIK3CAGRM5KITCYP1A2
SCHEMBL21931692 0.93 GRM5 (0.40) NTRK1PIK3CAGRM5KITCYP1A2
SCHEMBL24738470 0.92 NTRK1 (0.39) NTRK1PIK3CAGRM5SYKKIT
SCHEMBL21931676 0.92 GRM5 (0.38) NTRK1PIK3CAGRM5KITCYP1A2
SCHEMBL23097980 0.91 CYP1A2 (0.37) NTRK1PIK3CAGRM5SYKKIT
SCHEMBL21929177 0.91 ELANE (0.40) NTRK1PIK3CAGRM5KITCYP1A2
SCHEMBL21929183 0.90 NTRK1 (0.37) NTRK1PIK3CAGRM5SYKKIT
SCHEMBL24737197 0.90 USP7 (0.35) NTRK1PIK3CAGRM5KITCYP1A2

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-20220388960-A1 ORGANIC MOLECULES FOR USE IN LIGHT-EMITTING DEVICES CYNORA GMBH (DE) 2022-12-08 US disclosed
US-20200136054-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-04-30 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-20200136054-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, OGFR, OR51E2 NTRK1 818/4885PIK3CA 4330/4885GRM5 2003/4885
US-20220388960-A1 ORGANIC MOLECULES FOR USE IN LIGHT-EMITTING DEVICES ALDH1A2, AOX1, CYBA NTRK1 3967/4885PIK3CA 4368/4885GRM5 2961/4885

“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.