SCHEMBL21931685

SCHEMBL21931685

Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cccc(C#N)c3)c(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cn2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.36
SGK1 O00141 1/20 0.36
ALDH1A3 P47895 1/20 0.36
ALDH1A1 P00352 6/20 0.36
CYP1A2 P05177 6/20 0.36
CYP3A4 P08684 5/20 0.36
CLK4 Q9HAZ1 5/20 0.36
GRM5 P41594 2/20 0.36
ELANE P08246 1/20 0.35
MAP4K4 O95819 1/20 0.35
NTRK1 P04629 2/20 0.35
PIK3CA P42336 1/20 0.35
TNIK Q9UKE5 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
PTGER4 P35408 2/20 0.35
LMNA P02545 3/20 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
SCHEMBL21929191 0.95 KIT (0.39) KITALDH1A1CYP1A2CYP3A4CLK4
SCHEMBL21928388 0.95 GRM5 (0.39) KITSGK1ALDH1A3ALDH1A1CYP1A2
SCHEMBL21928978 0.93 ELANE (0.40) KITSGK1ALDH1A3ALDH1A1CYP1A2
SCHEMBL21931683 0.93 GRM5 (0.36) KITALDH1A3ALDH1A1CYP1A2CYP3A4
SCHEMBL21931690 0.93 GRM5 (0.40) KITALDH1A1CYP1A2CYP3A4CLK4
SCHEMBL21929183 0.93 NTRK1 (0.37) KITSGK1ALDH1A3ALDH1A1CYP1A2
SCHEMBL21928602 0.92 PTGER4 (0.38) ALDH1A3PIK3CAGABRA1GABRG2GABRB3
SCHEMBL23097961 0.92 ELANE (0.39) ALDH1A1CYP1A2CYP3A4CLK4GRM5
SCHEMBL21928542 0.92 GRM5 (0.38) KITALDH1A1CYP1A2CYP3A4CLK4
SCHEMBL20771696 0.92 GRM5 (0.41) KITALDH1A3ALDH1A1CYP1A2CYP3A4

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 KIT 1373/4885SGK1 1944/4885ALDH1A3 445/4885
US-20220388960-A1 ORGANIC MOLECULES FOR USE IN LIGHT-EMITTING DEVICES ALDH1A2, AOX1, CYBA KIT 1385/4885SGK1 3916/4885ALDH1A3 17/4885

“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.