SCHEMBL826569

SCHEMBL826569

ClCCCCc1cccnc1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
HRH1 P35367 2/20 0.65
CYP2A6 P11509 1/20 0.63
TBXAS1 P24557 7/20 0.59
CHRNA7 P36544 2/20 0.57
CYP1A2 P05177 2/20 0.53
CYP2D6 P10635 2/20 0.53
HRH4 Q9H3N8 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53

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
SCHEMBL10895097 0.98 HRH1 (0.68) TDP1L3MBTL1HRH1CYP2A6TBXAS1
SCHEMBL740922 0.98 HRH1 (0.68) TDP1L3MBTL1HRH1CYP2A6TBXAS1
SCHEMBL10349750 0.98 HRH1 (0.68) TDP1L3MBTL1HRH1CYP2A6TBXAS1
SCHEMBL742233 0.98 HRH1 (0.68) TDP1L3MBTL1HRH1CYP2A6TBXAS1
SCHEMBL10350863 0.98 HRH1 (0.68) TDP1L3MBTL1HRH1CYP2A6TBXAS1
SCHEMBL742284 0.94 CYP2A6 (0.66) TDP1L3MBTL1HRH1CYP2A6TBXAS1
Hydrochloric Acid SCHEMBL1872033 0.92 CYP2A6 (0.63) TDP1L3MBTL1HRH1CYP2A6TBXAS1
SCHEMBL29485675 0.89 TDP1 (0.80) TDP1L3MBTL1HRH1CYP2A6TBXAS1
SCHEMBL724788 0.89 TDP1 (0.80) TDP1L3MBTL1HRH1CYP2A6TBXAS1
SCHEMBL2845851 0.87 HRH1 (0.81) TDP1L3MBTL1HRH1CYP2A6TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507680-B2 Production process of a heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2013-08-13 US disclosed
US-20120142924-A1 PRODUCTION PROCESS OF A HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST MITSUBISHI RAYON CO., LTD. (JP) 2012-06-07 US disclosed
US-8143407-B2 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2012-03-27 US disclosed
US-20100010224-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST MITSUBISHI RAYON CO., LTD. (JP) 2010-01-14 US disclosed
US-7612218-B2 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2009-11-03 US disclosed
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2005-07-07 US disclosed
EP-1481978-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST Mitsubishi Rayon Co., Ltd. (JP) 2004-12-01 EP disclosed
US-5130312-A Gastrointestinal motility stimulators JANSSEN PHARMACEUTICA N.V. (BE) 1992-07-14 US disclosed
EP-0094080-B1 PYRIDO(2,1-B)QUINAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1987-09-09 EP disclosed
US-4551460-A ANTICOAGULANTS, CARDIOVASCULAR DISORDERS HOFFMANN-LA ROCHE INC. (US) 1985-11-05 US disclosed
EP-0094080-A2 Pyrido(2,1-b)quinazoline derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1983-11-16 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-20100010224-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST PIN4, IPO5, HLCS TDP1 3909/4885L3MBTL1 2684/4885HRH1 1030/4885
US-20120142924-A1 PRODUCTION PROCESS OF A HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST PIN4, NISCH, HLCS TDP1 3679/4885L3MBTL1 3121/4885HRH1 1348/4885
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst PIN4, IPO5, HLCS TDP1 3909/4885L3MBTL1 2684/4885HRH1 1030/4885

“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.