SCHEMBL2751114

SCHEMBL2751114

Clc1cc(-c2cccnc2)cc(-c2cccnc2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 8/20 0.65
▸ ALDH1A1 P00352 2/20 0.65
▸ CYP3A4 P08684 2/20 0.65
▸ CYP1A2 P05177 2/20 0.65
▸ MKNK1 Q9BUB5 2/20 0.52
▸ MKNK2 Q9HBH9 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ PSIP1 O75475 1/20 0.52
▸ AXL P30530 1/20 0.52
▸ CYP19A1 P11511 2/20 0.50
▸ NPY5R Q15761 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ HTT P42858 2/20 0.50
▸ DYRK1A Q13627 1/20 0.50
▸ DYRK1B Q9Y463 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ ALOX15 P16050 1/20 0.50

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
SCHEMBL5527335 0.96 CYP2A6 (0.60) CYP2A6ALDH1A1CYP3A4CYP1A2MKNK1
SCHEMBL1690651 0.96 CYP2A6 (0.65) CYP2A6ALDH1A1CYP3A4CYP1A2MKNK1
SCHEMBL5531359 0.91 CYP19A1 (0.56) CYP2A6ALDH1A1CYP3A4CYP1A2MKNK1
SCHEMBL12373173 0.90 NPY5R (0.58) CYP2A6ALDH1A1CYP3A4CYP1A2MKNK1
SCHEMBL31508264 0.89 CYP2A6 (0.83) CYP2A6ALDH1A1CYP3A4CYP1A2MKNK1
SCHEMBL12956908 0.89 CYP2A6 (0.83) CYP2A6ALDH1A1CYP3A4CYP1A2MKNK1
SCHEMBL12108682 0.89 CYP2A6 (0.83) CYP2A6ALDH1A1CYP3A4CYP1A2MKNK1
SCHEMBL12068478 0.89 CYP2A6 (0.83) CYP2A6ALDH1A1CYP3A4CYP1A2MKNK1
SCHEMBL22137845 0.88 CYP2A6 (0.60) CYP2A6ALDH1A1CYP3A4CYP1A2MKNK1
SCHEMBL8882222 0.87 CYP2A6 (0.54) CYP2A6ALDH1A1CYP3A4CYP1A2MKNK1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020130613-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 두산솔루스 주식회사 2020-06-25 — — WO disclosed
WO-2020130613-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 두산솔루스 주식회사 2020-06-25 — — WO disclosed
US-20190322623-A1 COMPOUND, DISPLAY PANEL, AND DISPLAY APPARATUS WUHAN TIANMA MICRO-ELECTRONICS CO., LTD. (CN) 2019-10-24 — — US disclosed
EP-2445881-B1 PROCESS FOR MAKING ORGANIC COMPOUNDS AND THE ORGANIC COMPOUNDS MADE THEREFROM BOE TECHNOLOGY GROUP CO LTD (CN) 2017-11-15 — — EP disclosed
EP-2445881-B1 PROCESS FOR MAKING ORGANIC COMPOUNDS AND THE ORGANIC COMPOUNDS MADE THEREFROM BOE TECHNOLOGY GROUP CO LTD (CN) 2017-11-15 — — EP disclosed
US-8865905-B2 Organic compounds GENERAL ELECTRIC COMPANY (US) 2014-10-21 — — US disclosed
US-8865905-B2 Organic compounds GENERAL ELECTRIC COMPANY (US) 2014-10-21 — — US disclosed
US-8865905-B2 Organic compounds GENERAL ELECTRIC COMPANY (US) 2014-10-21 — — US disclosed
US-20130217882-A1 ORGANIC COMPOUNDS GENERAL ELECTRIC COMPANY (US) 2013-08-22 — — US disclosed
US-20130217882-A1 ORGANIC COMPOUNDS GENERAL ELECTRIC COMPANY (US) 2013-08-22 — — US disclosed
US-20120178938-A1 PROCESS FOR MAKING ORGANIC COMPOUNDS AND THE ORGANIC COMPOUNDS MADE THEREFROM GENERAL ELECTRIC COMPANY (US) 2012-07-12 — — US disclosed
US-20120178938-A1 PROCESS FOR MAKING ORGANIC COMPOUNDS AND THE ORGANIC COMPOUNDS MADE THEREFROM GENERAL ELECTRIC COMPANY (US) 2012-07-12 — — US disclosed
US-20120178938-A1 PROCESS FOR MAKING ORGANIC COMPOUNDS AND THE ORGANIC COMPOUNDS MADE THEREFROM GENERAL ELECTRIC COMPANY (US) 2012-07-12 — — US disclosed
US-8178682-B2 Process for making organic compounds and the organic compounds made therefrom GENERAL ELECTRIC COMPANY (US) 2012-05-15 — — US disclosed
US-8178682-B2 Process for making organic compounds and the organic compounds made therefrom GENERAL ELECTRIC COMPANY (US) 2012-05-15 — — US disclosed
US-8178682-B2 Process for making organic compounds and the organic compounds made therefrom GENERAL ELECTRIC COMPANY (US) 2012-05-15 — — US disclosed
US-20100331547-A1 PROCESS FOR MAKING ORGANIC COMPOUNDS AND THE ORGANIC COMPOUNDS MADE THEREFROM GENERAL ELECTRIC COMPANY (US) 2010-12-30 — — US disclosed
US-20100331547-A1 PROCESS FOR MAKING ORGANIC COMPOUNDS AND THE ORGANIC COMPOUNDS MADE THEREFROM GENERAL ELECTRIC COMPANY (US) 2010-12-30 — — US disclosed
US-20100331547-A1 PROCESS FOR MAKING ORGANIC COMPOUNDS AND THE ORGANIC COMPOUNDS MADE THEREFROM GENERAL ELECTRIC COMPANY (US) 2010-12-30 — — US disclosed
WO-2010151389-A1 PROCESS FOR MAKING ORGANIC COMPOUNDS AND THE ORGANIC COMPOUNDS MADE THEREFROM GENERAL ELECTRIC COMPANY (US) 2010-12-29 — — WO 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-20100331547-A1 PROCESS FOR MAKING ORGANIC COMPOUNDS AND THE ORGANIC COMPOUNDS MADE THEREFROM CYP4F11, BCL6, CYP2F1 CYP2A6 41/4885ALDH1A1 2404/4885CYP3A4 94/4885
US-20190322623-A1 COMPOUND, DISPLAY PANEL, AND DISPLAY APPARATUS DRD2, GRIN2D, DRD1 CYP2A6 1673/4885ALDH1A1 1377/4885CYP3A4 2143/4885
US-20120178938-A1 PROCESS FOR MAKING ORGANIC COMPOUNDS AND THE ORGANIC COMPOUNDS MADE THEREFROM CYP2F1, CYP4F2, CYP1B1 CYP2A6 30/4885ALDH1A1 583/4885CYP3A4 96/4885

“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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