SCHEMBL12129596

SCHEMBL12129596

c1cncc(-c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5cccc(-c6cc(-c7cccc(-c8cccnc8)c7)cc(-c7cccc(-c8cccc(-c9cc(-c%10cccc(-c%11cccnc%11)c%10)cc(-c%10cccc(-c%11cccnc%11)c%10)c9)c8)c7)c6)c5)c4)c3)c2)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.75
ALDH1A1 P00352 2/20 0.75
CYP3A4 P08684 2/20 0.75
CYP1A2 P05177 1/20 0.75
MEN1 O00255 1/20 0.69
PSIP1 O75475 1/20 0.69
AXL P30530 1/20 0.69
MKNK1 Q9BUB5 1/20 0.69
MKNK2 Q9HBH9 1/20 0.69
CYP11B1 P15538 5/20 0.61
CYP11B2 P19099 5/20 0.61
CYP19A1 P11511 3/20 0.61
CYP17A1 P05093 1/20 0.61
KMO O15229 1/20 0.60
EPHX2 P34913 1/20 0.56
PRMT6 Q96LA8 1/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
TP53 P04637 1/20 0.56
MAPT P10636 1/20 0.56

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
SCHEMBL12129614 1.00 CYP2A6 (0.75) CYP2A6ALDH1A1CYP3A4CYP1A2MEN1
SCHEMBL12129595 1.00 CYP2A6 (0.75) CYP2A6ALDH1A1CYP3A4CYP1A2MEN1
SCHEMBL22428556 1.00 CYP2A6 (0.75) CYP2A6ALDH1A1CYP3A4CYP1A2MEN1
SCHEMBL12108690 1.00 CYP2A6 (0.75) CYP2A6ALDH1A1CYP3A4CYP1A2MEN1
SCHEMBL669546 1.00 CYP2A6 (0.75) CYP2A6ALDH1A1CYP3A4CYP1A2MEN1
SCHEMBL532271 1.00 CYP2A6 (0.75) CYP2A6ALDH1A1CYP3A4CYP1A2MEN1
SCHEMBL472057 1.00 CYP2A6 (0.75) CYP2A6ALDH1A1CYP3A4CYP1A2MEN1
SCHEMBL22428551 1.00 CYP2A6 (0.75) CYP2A6ALDH1A1CYP3A4CYP1A2MEN1
SCHEMBL20930856 1.00 CYP2A6 (0.75) CYP2A6ALDH1A1CYP3A4CYP1A2MEN1
SCHEMBL29362911 1.00 CYP2A6 (0.75) CYP2A6ALDH1A1CYP3A4CYP1A2MEN1

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
EP-2291354-B1 COMPOUND COMPRISING PHENYL PYRIDINE UNITS BOE TECHNOLOGY GROUP CO LTD (CN) 2016-11-09 EP disclosed
EP-2307368-B1 COMPOUND COMPRISING PHENYL PYRIDINE UNITS BOE TECHNOLOGY GROUP CO LTD (CN) 2016-11-09 EP disclosed
US-8062768-B2 Compound comprising phenyl pyridine units GENERAL ELECTRIC COMPANY (US) 2011-11-22 US disclosed
US-8062768-B2 Compound comprising phenyl pyridine units GENERAL ELECTRIC COMPANY (US) 2011-11-22 US disclosed
US-8039125-B2 Compound comprising phenyl pyridine units GENERAL ELECTRIC COMPANY (US) 2011-10-18 US disclosed
US-8039125-B2 Compound comprising phenyl pyridine units GENERAL ELECTRIC COMPANY (US) 2011-10-18 US disclosed
WO-2009142870-A1 COMPOUND COMPRISING PHENYL PYRIDINE UNITS GENERAL ELECTRIC COMPANY (US) 2009-11-26 WO disclosed
WO-2009142867-A1 COMPOUND COMPRISING PHENYL PYRIDINE UNITS GENERAL ELECTRIC COMPANY (US) 2009-11-26 WO disclosed
US-20090289547-A1 COMPOUND COMPRISING PHENYL PYRIDINE UNITS GENERAL ELECTRIC COMPANY (US) 2009-11-26 US disclosed
US-20090289224-A1 COMPOUND COMPRISING PHENYL PYRIDINE UNITS GENERAL ELECTRIC COMPANY (US) 2009-11-26 US disclosed
US-20090289547-A1 COMPOUND COMPRISING PHENYL PYRIDINE UNITS GENERAL ELECTRIC COMPANY (US) 2009-11-26 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-20090289547-A1 COMPOUND COMPRISING PHENYL PYRIDINE UNITS C1S, C3AR1, CRY1 CYP2A6 121/4885ALDH1A1 514/4885CYP3A4 108/4885
US-20090289224-A1 COMPOUND COMPRISING PHENYL PYRIDINE UNITS C1S, C3AR1, CRY1 CYP2A6 121/4885ALDH1A1 514/4885CYP3A4 108/4885

“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.