SCHEMBL1165314

SCHEMBL1165314

COc1cc(OC)cc(-c2ccnc(N)c2N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.52
CYP1A1 P04798 5/20 0.47
CYP1B1 Q16678 5/20 0.47
CYP1A2 P05177 3/20 0.47
CYP2E1 P05181 3/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2C8 P10632 3/20 0.47
CYP2D6 P10635 3/20 0.47
CYP2A6 P11509 3/20 0.47
CYP2C9 P11712 3/20 0.47
CYP4B1 P13584 3/20 0.47
CYP2B6 P20813 3/20 0.47
CYP3A5 P20815 3/20 0.47
CYP2A7 P20853 3/20 0.47
CYP3A7 P24462 3/20 0.47
CYP2F1 P24903 3/20 0.47
CYP2C18 P33260 3/20 0.47
CYP2C19 P33261 3/20 0.47
CYP2J2 P51589 3/20 0.47
CYP4F2 P78329 3/20 0.47

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
SCHEMBL17555617 0.89 FYN (0.44) FYNCYP1A1CYP1B1CYP1A2CYP2E1
SCHEMBL4938505 0.85 DYRK1A (0.54) FYNGAAMAPTNOS3NOS2
SCHEMBL1823930 0.84 DYRK1A (0.53) FYNCYP1A2CYP3A4CYP2D6MAPT
SCHEMBL29092217 0.74 HSP90AA1 (0.50) FYNNOS3NOS2NOS1DYRK1A
SCHEMBL13506871 0.73 NOS3 (0.41) FYNNOS3NOS2
SCHEMBL2603522 0.72 FYN (0.43) FYNCYP1A1CYP1B1CYP1A2CYP2E1
SCHEMBL13730604 0.71 NOS3 (0.52) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL17555709 0.70 ADORA2A (0.41) MAPT
SCHEMBL1126240 0.70 ABL1 (0.44) CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4
SCHEMBL31648381 0.70 FGFR1 (0.55) FYNCYP1A1CYP1B1CYP1A2CYP2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058289-B2 Pyridine methylene azolidinones and use thereof phosphoinositide inhibitors MERCK SERONO SA (CH) 2011-11-15 US disclosed
EP-1786812-B1 PYRIDINE METHYLENE AZOLIDINONES AND THEIR USE AS PHOSPHOINOSITIDE INHIBITORS MERCK SERONO SA (CH) 2011-11-09 EP disclosed
US-20110034458-A1 PYRIDINE METHYLENE AZOLIDINONES AND USE THEREOF PHOSPHOINOSITIDE INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2011-02-10 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 (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-20110034458-A1 PYRIDINE METHYLENE AZOLIDINONES AND USE THEREOF PHOSPHOINOSITIDE INHIBITORS PIK3CD, PIK3CA, PTEN FYN 109/4885CYP1A1 1483/4885CYP1B1 579/4885

“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.