SCHEMBL20114501

SCHEMBL20114501

N#Cc1cc(F)ccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.46
ADORA2A P29274 4/20 0.46
RXFP1 Q9HBX9 2/20 0.45
NPSR1 Q6W5P4 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
ABCG2 Q9UNQ0 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SQOR Q9Y6N5 1/20 0.41
ADORA2B P29275 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
GRM5 P41594 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL20938177 0.93 CYP11B1 (0.44) ADORA1ADORA2ARXFP1NPSR1KDM4E
SCHEMBL20843322 0.89 ADORA1 (0.45) ADORA1ADORA2ARXFP1NPSR1KDM4E
SCHEMBL20114880 0.88 RXFP1 (0.45) ADORA1ADORA2ARXFP1NPSR1KDM4E
SCHEMBL19666250 0.87 HPGD (0.49) ADORA1ADORA2ARXFP1NPSR1KDM4E
SCHEMBL4780146 0.83 ADORA1 (0.46) ADORA1ADORA2ARXFP1NPSR1KDM4E
SCHEMBL29559425 0.83 ABCG2 (0.41) ADORA1ADORA2ARXFP1NPSR1KDM4E
SCHEMBL19943087 0.83 ABCG2 (0.46) ADORA1ADORA2ARXFP1NPSR1KDM4E
SCHEMBL16122458 0.81 ABCG2 (0.48) ADORA1ADORA2ARXFP1NPSR1KDM4E
SCHEMBL26582016 0.81 ALDH1A1 (0.44) ADORA1ADORA2ARXFP1NPSR1KDM4E
SCHEMBL20843360 0.80 MEN1 (0.47) ADORA1ADORA2ARXFP1NPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020145692-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2020-07-16 WO disclosed
WO-2020145693-A1 COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME 주식회사 엘지화학 2020-07-16 WO disclosed
US-20200199149-A1 ORGANIC COMPOUND, ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE HAVING THE COMPOUND LG DISPLAY CO., LTD. (KR) 2020-06-25 US disclosed
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices CYNORA GMBH (DE) 2019-09-24 US disclosed
WO-2019078700-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2019-04-25 WO disclosed
EP-3315581-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-01-02 EP disclosed
US-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-17 US disclosed
EP-3315581-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-02 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-20200199149-A1 ORGANIC COMPOUND, ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE HAVING THE COMPOUND OCIAD1, OSTC, OCIAD2 ADORA1 4186/4885ADORA2A 3167/4885RXFP1 4701/4885
US-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, EPCAM, F12 ADORA1 4253/4885ADORA2A 4665/4885RXFP1 2513/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 ADORA1 4253/4885ADORA2A 4665/4885RXFP1 2513/4885

“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.