SCHEMBL16805055

SCHEMBL16805055

Cc1nc(-c2ccc3ccccc3c2)cc(-c2cccc3ccccc23)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 2/20 0.53
▸ CYP1A2 P05177 2/20 0.49
▸ CYP1A1 P04798 1/20 0.46
▸ CYP1B1 Q16678 1/20 0.46
▸ RAC1 P63000 2/20 0.45
▸ ENPP3 O14638 1/20 0.44
▸ ENPP1 P22413 1/20 0.44
▸ CTRC Q99895 1/20 0.43
▸ MAOB P27338 2/20 0.42
▸ MAOA P21397 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PFKFB3 Q16875 1/20 0.41
▸ AKT1 P31749 1/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TUBB4A P04350 1/20 0.40
▸ TUBB P07437 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
SCHEMBL16805036 0.88 PIM1 (0.53) PIM1CYP1A2CYP1A1CYP1B1RAC1
SCHEMBL17970028 0.88 PIM1 (0.56) PIM1CYP1A2CYP1A1CYP1B1RAC1
SCHEMBL16805034 0.87 ALDH1A1 (0.50) CYP1A2ENPP3ENPP1MEN1KMT2A
SCHEMBL10051200 0.86 PIM1 (0.54) PIM1CYP1A2CYP1A1CYP1B1RAC1
SCHEMBL18731813 0.86 KMT2A (0.48) CYP1A2ENPP3ENPP1MAOBMAOA
SCHEMBL16805046 0.85 CYP1A2 (0.63) CYP1A2CYP1A1CYP1B1RAC1CTRC
SCHEMBL17547281 0.85 CYP1A2 (0.71) PIM1CYP1A2CYP1A1CYP1B1MAOB
SCHEMBL22912138 0.85 PIM1 (0.53) PIM1CYP1A2CYP1A1CYP1B1MAOB
SCHEMBL17969916 0.85 PIM1 (0.53) PIM1CYP1A2CYP1A1CYP1B1ENPP3
SCHEMBL25453952 0.85 CYP1A1 (0.43) PIM1CYP1A2CYP1A1CYP1B1RAC1

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
US-11706983-B2 Organic light-emitting device SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-07-18 — — US disclosed
US-9666807-B2 Organic light emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2017-05-30 — — US disclosed
US-20160322585-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME SAMSUNG SDI CO., LTD. (KR) 2016-11-03 — — US disclosed
US-20160111664-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-21 — — US disclosed
US-20160111664-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-21 — — US disclosed
US-20160028017-A1 ORGANIC LIGHT EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-01-28 — — US disclosed
US-20150228909-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG SDI CO., LTD. (KR) 2015-08-13 — — US disclosed
US-20150171337-A1 AMINE-BASED COMPOUNDS AND ORGANIC LIGHT-EMITTING DEVICES COMPRISING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-06-18 — — 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 (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-20150228909-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CCNE2, CRY2 PIM1 3259/4885CYP1A2 746/4885CYP1A1 281/4885
US-20160322585-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNE2 PIM1 3117/4885CYP1A2 2208/4885CYP1A1 1633/4885

“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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