SCHEMBL19903591

SCHEMBL19903591

N#Cc1c(-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1-n1c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.38
CTSK P43235 1/20 0.38
ALDH1A1 P00352 5/20 0.35
TDP1 Q9NUW8 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 3/20 0.35
GAA P10253 2/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
ICMT O60725 1/20 0.34
KDM4E B2RXH2 4/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
RXRA P19793 2/20 0.34
RXRG P48443 2/20 0.34
ADORA1 P30542 2/20 0.34

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
SCHEMBL19903691 0.97 CTSS (0.36) CTSSCTSKALDH1A1TDP1SMN1; SMN2
SCHEMBL20617083 0.95 RXRA (0.41) CTSSCTSKALDH1A1TDP1SMN1; SMN2
SCHEMBL21108761 0.94 ICMT (0.34) CTSSCTSKALDH1A1TDP1SMN1; SMN2
SCHEMBL19912566 0.93 ADORA1 (0.35) CTSSCTSKALDH1A1TDP1SMN1; SMN2
SCHEMBL20617054 0.92 RXRA (0.39) CTSSCTSKALDH1A1TDP1SMN1; SMN2
SCHEMBL19917980 0.91 CTSS (0.38) CTSSCTSKALDH1A1TDP1SMN1; SMN2
SCHEMBL19903485 0.91 CTSS (0.36) CTSSCTSKALDH1A1TDP1SMN1; SMN2
SCHEMBL19912568 0.90 ALDH1A1 (0.34) CTSSCTSKALDH1A1TDP1SMN1; SMN2
SCHEMBL19903526 0.90 RXRA (0.39) ALDH1A1TDP1SMN1; SMN2MAPTHPGD
SCHEMBL21279039 0.89 KDM4E (0.36) CTSSCTSKALDH1A1TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10439151-B2 Organic molecules, especially for use in organic optoelectronic devices CYNORA GMBH (DE) 2019-10-08 US disclosed
EP-3360945-B1 ORGANIC ELECTROLUMINESCENT DEVICE CYNORA GMBH (DE) 2019-04-24 EP disclosed
EP-3287450-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-03-20 EP disclosed
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-01 US disclosed
EP-3287450-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 (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-10439151-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, ORC3, AOC3 CTSS 4248/4885CTSK 3654/4885ALDH1A1 901/4885
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 CTSS 4073/4885CTSK 3483/4885ALDH1A1 817/4885

“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.