SCHEMBL19909008

SCHEMBL19909008

Cc1nc(C)nc(-c2ccc3c4ccc(-c5nc(C)nc(C)n5)cc4n(-c4cc(C#N)cc(-n5c6cc(-c7nc(C)nc(C)n7)ccc6c6ccc(-c7nc(C)nc(C)n7)cc65)c4-c4ccncc4)c3c2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.35
MAPK14 Q16539 2/20 0.33
CSNK1A1 P48729 1/20 0.33
CSNK1D P48730 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
CHEK1 O14757 2/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
FLT3 P36888 2/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL19908995 0.95 MAPK14 (0.36) ABCG2MAPK14CSNK1A1CSNK1DLMNA
SCHEMBL19909001 0.91 MAPK14 (0.35) ABCG2MAPK14CSNK1A1CSNK1DLMNA
SCHEMBL21414152 0.90 CYP1A2 (0.32) LMNACHEK1CYP1A2CYP3A4CYP2C9
SCHEMBL19942583 0.89 CHEK1 (0.35) ABCG2LMNAMAPTCHEK1CYP11B2
SCHEMBL19908993 0.88 PTGER4 (0.38) ABCG2MAPK14CSNK1A1CSNK1DLMNA
SCHEMBL19909535 0.87 IRAK4 (0.32) ABCG2CHEK1IRAK4
SCHEMBL19913174 0.86 ABCG2 (0.40) ABCG2MAPK14LMNAMAPTUSP2
SCHEMBL21546615 0.85 CYP1A2 (0.41) ABCG2LMNAMAPTUSP2CYP1A2
SCHEMBL22563567 0.85 ABCG2 (0.36) ABCG2CHEK1IRAK4
SCHEMBL21929302 0.85 CHEK1 (0.39) MAPTCHEK1CYP11B1CYP11B2IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11588114-B2 Organic molecules for use in optoelectronic devices SAMSUNG DISPLAY CO., LTD. (KR) 2023-02-21 US disclosed
US-20200212316-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-07-02 US disclosed
US-10665792-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2020-05-26 US disclosed
US-20180062085-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-01 US disclosed
US-20180062085-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-01 US disclosed
EP-3287451-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-02-28 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 (3 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-20200212316-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OPRM1, OR51E2 ABCG2 624/4885MAPK14 2544/4885CSNK1A1 4231/4885
US-10665792-B2 Organic molecules for use in optoelectronic devices OR10J3, CFD, AOX1 ABCG2 3492/4885MAPK14 2787/4885CSNK1A1 2962/4885
US-11588114-B2 Organic molecules for use in optoelectronic devices OR10J3, OPRM1, OR51E2 ABCG2 624/4885MAPK14 2544/4885CSNK1A1 4231/4885

“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.