SCHEMBL19908993

SCHEMBL19908993

Cc1nc(C)nc(-c2ccc3c(c2)c2ccccc2n3-c2cc(C#N)cc(-n3c4ccccc4c4cc(-c5nc(C)nc(C)n5)ccc43)c2-c2ccncc2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.38
MAPK14 Q16539 5/20 0.36
CYP1A2 P05177 4/20 0.35
CYP3A4 P08684 4/20 0.35
ABCG2 Q9UNQ0 2/20 0.35
CYP2C9 P11712 2/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
CSNK1A1 P48729 1/20 0.33
CSNK1D P48730 1/20 0.33
NPY5R Q15761 2/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP2C19 P33261 2/20 0.32
KMT2A Q03164 2/20 0.32
CLK4 Q9HAZ1 2/20 0.32
CYP2D6 P10635 2/20 0.32
TSHR P16473 2/20 0.32
MAPK1 P28482 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
SCHEMBL19909001 0.95 MAPK14 (0.35) PTGER4MAPK14CYP1A2CYP3A4ABCG2
SCHEMBL19908995 0.94 MAPK14 (0.36) PTGER4MAPK14CYP1A2CYP3A4ABCG2
SCHEMBL21414142 0.91 PTGER4 (0.40) PTGER4CYP1A2CYP3A4CYP2C9USP2
SCHEMBL19913173 0.90 ABCG2 (0.41) MAPK14CYP1A2CYP3A4ABCG2CYP2C9
SCHEMBL21546610 0.89 CYP1A2 (0.43) PTGER4CYP1A2CYP3A4ABCG2CYP2C9
SCHEMBL19909008 0.88 ABCG2 (0.35) MAPK14CYP1A2CYP3A4ABCG2CYP2C9
SCHEMBL21929303 0.87 PTGER4 (0.43) PTGER4ABCG2HPGDCASP1NPY5R
SCHEMBL19942582 0.87 PTGER4 (0.41) PTGER4CYP1A2CYP3A4ABCG2CYP2C9
SCHEMBL19913153 0.86 MAPK14 (0.40) PTGER4MAPK14HPGDCSNK1A1CSNK1D
SCHEMBL19919779 0.86 ABCG2 (0.40) MAPK14CYP1A2CYP3A4ABCG2CYP2C9

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 PTGER4 1123/4885MAPK14 2544/4885CYP1A2 344/4885
US-10665792-B2 Organic molecules for use in optoelectronic devices OR10J3, CFD, AOX1 PTGER4 1386/4885MAPK14 2787/4885CYP1A2 2290/4885
US-11588114-B2 Organic molecules for use in optoelectronic devices OR10J3, OPRM1, OR51E2 PTGER4 1123/4885MAPK14 2544/4885CYP1A2 344/4885

“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.