SCHEMBL21546987

SCHEMBL21546987

Cc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2cc(-c3cccc(C#N)c3)cc(-n3c4ccc(-c5nc(C)nc(C)n5)cc4c4cc(-c5nc(C)nc(C)n5)ccc43)c2C(F)(F)F)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.39
CYP1A2 P05177 7/20 0.38
CYP3A4 P08684 6/20 0.38
CLK4 Q9HAZ1 5/20 0.38
ALDH1A1 P00352 5/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
TSHR P16473 3/20 0.38
CYP2D6 P10635 3/20 0.38
LMNA P02545 3/20 0.38
CYP2C19 P33261 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAT2A P31153 1/20 0.38
ALPL P05186 1/20 0.36
ALPI P09923 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
MAP4K4 O95819 1/20 0.35
PTPN5 P54829 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
SCHEMBL21547001 0.96 CYP1A2 (0.40) SYKCYP1A2CYP3A4CLK4ALDH1A1
SCHEMBL21547009 0.92 SYK (0.39) SYKCYP1A2CYP3A4CLK4ALDH1A1
SCHEMBL21546991 0.90 CYP1A2 (0.40) SYKCYP1A2CYP3A4CLK4ALDH1A1
SCHEMBL21108767 0.90 SYK (0.39) SYKCYP1A2CYP3A4CLK4ALDH1A1
SCHEMBL21546921 0.90 CYP1A2 (0.44) SYKCYP1A2CYP3A4CLK4ALDH1A1
SCHEMBL21546491 0.89 CYP1A2 (0.40) CYP1A2CYP3A4CLK4ALDH1A1MEN1
SCHEMBL21108031 0.88 CYP1A2 (0.38) SYKCYP1A2CYP3A4CLK4ALDH1A1
SCHEMBL21546866 0.88 PTPN5 (0.43) SYKCYP1A2CYP3A4CLK4ALDH1A1
SCHEMBL21108769 0.88 CYP1A2 (0.42) SYKCYP1A2CYP3A4CLK4ALDH1A1
SCHEMBL22761008 0.87 MAT2A (0.43) CYP1A2CYP3A4CLK4ALDH1A1MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10981930-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-04-20 US disclosed
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-12-10 US disclosed
EP-3478793-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-11-06 EP 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-10981930-B2 Organic molecules for use in optoelectronic devices OR10J3, OR51E2, EPCAM SYK 1131/4885CYP1A2 512/4885CYP3A4 904/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM SYK 1131/4885CYP1A2 512/4885CYP3A4 904/4885

“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.