SCHEMBL5332648

SCHEMBL5332648

Nc1cccc(Oc2ccnc(-c3ncon3)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.45
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
HSP90AA1 P07900 1/20 0.38
ALDH1A1 P00352 3/20 0.37
CYP3A4 P08684 2/20 0.36
TP53 P04637 1/20 0.36
ATM Q13315 1/20 0.36
MEN1 O00255 1/20 0.36
MITF O75030 1/20 0.36
GAA P10253 1/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NLRP1 Q9C000 1/20 0.36
NOD2 Q9HC29 1/20 0.36
LTA4H P09960 1/20 0.35
KMO O15229 1/20 0.35
F10 P00742 1/20 0.34
ASIC3 Q9UHC3 1/20 0.33

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
SCHEMBL5347158 0.82 NPC1 (0.43) MAOBMAPTPOLBHSP90AA1ALDH1A1
SCHEMBL24921180 0.75 CCR1 (0.61) HSP90AA1CYP3A4SMN1; SMN2KMOCCR1
SCHEMBL14447154 0.75 MAOB (0.44) MAOBMAPTPOLBHSP90AA1ALDH1A1
SCHEMBL6521352 0.74 KDR (0.51) MAOBMAPTPOLBHSP90AA1ALDH1A1
SCHEMBL14684302 0.73 MAOB (0.60) MAOBMAPTPOLBHSP90AA1ALDH1A1
SCHEMBL1459485 0.70 MAOB (0.56) MAOBMAPTPOLBHSP90AA1ALDH1A1
SCHEMBL24011031 0.70 MAOB (0.56) MAOBMAPTPOLBHSP90AA1ALDH1A1
SCHEMBL55303 0.70 MAOB (0.86) MAOBMAPTPOLBHSP90AA1ALDH1A1
SCHEMBL29414092 0.70 MAOB (0.86) MAOBMAPTPOLBHSP90AA1ALDH1A1
SCHEMBL30107929 0.70 MAOB (0.86) MAOBMAPTPOLBHSP90AA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007076474-A1 NOVEL SUBSTITUTED PYRIDINYLOXY AND PYRIMIDINYLOXY AMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 WO disclosed
US-20070155746-A1 NOVEL SUBSTITUTED PYRIDINYLOXY AND PYRIMIDINYLOXY AMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 US disclosed
US-20070155746-A1 NOVEL SUBSTITUTED PYRIDINYLOXY AND PYRIMIDINYLOXY AMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 US disclosed
US-20070155746-A1 NOVEL SUBSTITUTED PYRIDINYLOXY AND PYRIMIDINYLOXY AMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 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-20070155746-A1 NOVEL SUBSTITUTED PYRIDINYLOXY AND PYRIMIDINYLOXY AMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES BRAF, ARAF, RAF1 MAOB 802/4885MAPT 3474/4885POLB 1594/4885

“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.