SCHEMBL4016083

SCHEMBL4016083

Nc1cc(OCc2cccc(F)c2)[nH]n1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.54
IDO1 P14902 2/20 0.50
AGXT P21549 2/20 0.50
MPO P05164 2/20 0.50
PARP10 Q53GL7 1/20 0.45
MGMT P16455 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
NR4A2 P43354 1/20 0.43
MAOA P21397 1/20 0.43
P2RX7 Q99572 1/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL4014567 0.83 MPO (0.48) MAOBIDO1MPOMGMTMAOA
SCHEMBL4012289 0.82 MPO (0.53) MAOBIDO1AGXTMPONR4A2
SCHEMBL4011220 0.82 MAOB (0.57) MAOBIDO1MPONR4A2L3MBTL1
SCHEMBL3938044 0.79 CYP4F2 (0.47) MAOBMPOMAOA
SCHEMBL3947954 0.74 TAAR1 (0.51) IDO1AGXTMPOL3MBTL1
SCHEMBL24968841 0.73 MAOB (0.54) MAOBIDO1AGXTMPOPARP10
SCHEMBL4012905 0.73 MAOB (0.51) MAOBIDO1MPO
SCHEMBL4010774 0.73 AGXT (0.60) AGXT
SCHEMBL1336494 0.71 MAOB (0.58) MAOBPARP10NR4A2MAOA
SCHEMBL1379497 0.70 MAOB (1.00) MAOBIDO1AGXTPARP10NR4A2

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
WO-2009056886-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF FGFR ACTIVITY ASTRAZENECA AB (SE) 2009-05-07 WO disclosed
EP-2044063-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Astra Zeneca AB (SE) 2009-04-08 EP disclosed
WO-2009019518-A1 PYRIMIDINE COMPOUNDS HAVING A FGFR INHIBITORY EFFECT ASTRAZENECA AB (SE) 2009-02-12 WO disclosed
WO-2008001070-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-01-03 WO disclosed
US-20080004302-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-01-03 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-20080004302-A1 Novel Compounds CYP11B2, CYP11B1, CYP46A1 MAOB 695/4885IDO1 4109/4885AGXT 707/4885

“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.