SCHEMBL3665722

SCHEMBL3665722

COc1cccc(/C=C/C(=O)c2cccnc2)n1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 13/20 0.59
CYP1A2 P05177 13/20 0.59
CYP1B1 Q16678 13/20 0.59
CYP3A4 P08684 7/20 0.59
CYP2D6 P10635 7/20 0.59
CAPN1 P07384 1/20 0.53
CTSL P07711 1/20 0.53
CTSB P07858 1/20 0.53
MAPT P10636 3/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
APP P05067 1/20 0.48
GSK3B P49841 1/20 0.48

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
SCHEMBL3664577 0.83 CYP1A1 (0.57) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL3665257 0.83 CYP1A1 (0.57) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL4189499 0.77 CYP1A1 (0.62) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL4185022 0.76 CYP1A1 (0.68) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL3664956 0.76 CYP1A1 (0.68) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL1225317 0.76 KDM4E (0.49) ALDH1A1LMNAHPGD
SCHEMBL4584461 0.76 KDM4E (0.51) CYP1A2MAPTKMT2ALMNAAPP
SCHEMBL4584462 0.76 KDM4E (0.51) CYP1A2MAPTKMT2ALMNAAPP
SCHEMBL1225315 0.76 KDM4E (0.49) ALDH1A1LMNAHPGD
SCHEMBL8218411 0.76 CYP1A1 (0.68) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2242742-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2015-12-02 EP disclosed
US-8343966-B2 Organic compounds NOVARTIS AG (CH) 2013-01-01 US disclosed
EP-2242742-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2010-10-27 EP disclosed
US-20090215776-A1 Organic compounds ADCOCK CLAIRE 2009-08-27 US disclosed
WO-2009087212-A2 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2009-07-16 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 (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-20090215776-A1 Organic compounds REN, RXFP1, MYLK CYP1A1 339/4885CYP1A2 616/4885CYP1B1 277/4885

“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.