SCHEMBL19909170

SCHEMBL19909170

Cc1cc(-c2cc(-n3c4ccccc4c4ccc(C(C)(C)C)cc43)c(C#N)cc2-n2c3ccccc3c3ccc(C(C)(C)C)cc32)cc(C)n1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SLC22A12 Q96S37 2/20 0.32
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 4/20 0.32
MAPK1 P28482 2/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
GLA P06280 1/20 0.32
MAPK14 Q16539 1/20 0.32
KIF11 P52732 2/20 0.32
MAT2A P31153 1/20 0.31
CSNK1D P48730 1/20 0.31
CSNK1G2 P78368 1/20 0.31
IMPDH2 P12268 1/20 0.31
MAPT P10636 1/20 0.31
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30

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
SCHEMBL19913218 0.96 CSNK1D (0.33) NPSR1ALDH1A1KDM4EHPGDMAPK14
SCHEMBL19909531 0.94 NPSR1 (0.32) NPSR1CYP1A2CYP2C9CYP2C19SLC22A12
SCHEMBL19909515 0.91 KIF11 (0.43) KDM4EKIF11MAT2A
SCHEMBL22563460 0.89 CYP1A2 (0.32) NPSR1CYP1A2CYP2C9CYP2C19SLC22A12
SCHEMBL19909532 0.88 ALDH1A1 (0.32) NPSR1CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL19908936 0.87 MAPK14 (0.39) NPSR1CYP1A2CYP2C9CYP2C19SLC22A12
SCHEMBL22156404 0.87 KIF11 (0.34) SLC22A12MAPK14KIF11IMPDH2
SCHEMBL19913228 0.87 KIF11 (0.40) ALDH1A1KDM4EGLAKIF11MAT2A
SCHEMBL22170397 0.87 KDM4E (0.36) NPSR1CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL19913217 0.87 KDM4E (0.36) NPSR1CYP1A2CYP2C9CYP2C19ALDH1A1

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 NPSR1 876/4885CYP1A2 344/4885CYP2C9 102/4885
US-10665792-B2 Organic molecules for use in optoelectronic devices OR10J3, CFD, AOX1 NPSR1 3075/4885CYP1A2 2290/4885CYP2C9 1631/4885
US-11588114-B2 Organic molecules for use in optoelectronic devices OR10J3, OPRM1, OR51E2 NPSR1 876/4885CYP1A2 344/4885CYP2C9 102/4885

“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.