SCHEMBL13658696

SCHEMBL13658696

c1cc(-c2ccncc2)nc(-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.44
▸ CYP1A2 P05177 3/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ AR P10275 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.43
▸ HPGD P15428 4/20 0.43
▸ MAPT P10636 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TNF P01375 2/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ PIK3CD O00329 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ TSHR P16473 2/20 0.37

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
SCHEMBL13658697 0.98 RAB9A (0.42) CYP3A4CYP1A2RAB9ANPC1AR
SCHEMBL13658693 0.92 CYP1A2 (0.45) CYP3A4CYP1A2RAB9ANPC1AR
SCHEMBL13682528 0.92 ALDH1A1 (0.44) CYP3A4CYP1A2RAB9ANPC1AR
SCHEMBL17427669 0.90 TNF (0.44) CYP3A4CYP1A2RAB9ANPC1AR
SCHEMBL30527261 0.90 TNF (0.44) CYP3A4CYP1A2RAB9ANPC1AR
SCHEMBL19768384 0.86 CYP3A4 (0.41) CYP3A4CYP1A2RAB9ANPC1AR
SCHEMBL13682534 0.84 PIK3CA (0.47) CYP3A4CYP1A2ALDH1A1HPGDMAPT
SCHEMBL13658709 0.84 CYP1A2 (0.42) CYP3A4CYP1A2RAB9ANPC1AR
SCHEMBL16484896 0.83 SMN1; SMN2 (0.43) CYP3A4CYP1A2RAB9ANPC1AR
SCHEMBL13682484 0.83 PIK3CA (0.46) CYP3A4CYP1A2CYP2C9ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9887365-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2018-02-06 — — US disclosed
US-9887365-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2018-02-06 — — US disclosed
US-20160141513-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-05-19 — — US disclosed
US-20160141513-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-05-19 — — US disclosed
US-9296695-B2 Bipyridine-based compound and organic light emitting diode employing organic layer comprising the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-03-29 — — US disclosed
US-9296695-B2 Bipyridine-based compound and organic light emitting diode employing organic layer comprising the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-03-29 — — US disclosed
EP-2110373-B1 Bipyridine-based compound and organic light emitting diode employing organic layer comprising the same SAMSUNG DISPLAY CO LTD (KR) 2012-11-21 — — EP disclosed
EP-2110373-A1 Bipyridine-based compound and organic light emitting diode employing organic layer comprising the same Samsung Mobile Display Co., Ltd. (KR) 2009-10-21 — — EP disclosed
US-20090256473-A1 BIPYRIDINE-BASED COMPOUND AND ORGANIC LIGHT EMITTING DIODE EMPLOYING ORGANIC LAYER COMPRISING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2009-10-15 — — US disclosed
US-20090256473-A1 BIPYRIDINE-BASED COMPOUND AND ORGANIC LIGHT EMITTING DIODE EMPLOYING ORGANIC LAYER COMPRISING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2009-10-15 — — US 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 (1 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-20090256473-A1 BIPYRIDINE-BASED COMPOUND AND ORGANIC LIGHT EMITTING DIODE EMPLOYING ORGANIC LAYER COMPRISING THE SAME OCIAD2, OCIAD1, DRD2 CYP3A4 162/4885CYP1A2 294/4885RAB9A 1437/4885

“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.

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