SCHEMBL5318849

SCHEMBL5318849

N#Cc1cc(Oc2cccc(N)c2)ccn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.51
ALOX5AP P20292 3/20 0.45
FEN1 P39748 3/20 0.45
ALDH1A1 P00352 4/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
MITF O75030 1/20 0.44
GAA P10253 1/20 0.44
GFER P55789 1/20 0.44
KMT2A Q03164 1/20 0.44
NLRP1 Q9C000 1/20 0.44
NOD2 Q9HC29 1/20 0.44
BTK Q06187 1/20 0.44
ATM Q13315 1/20 0.43
POLB P06746 1/20 0.42
HSP90AA1 P07900 1/20 0.42
LTA4H P09960 1/20 0.42
CYP3A4 P08684 2/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL1642799 0.85 ALDH1A1 (0.48) MAOBALOX5APFEN1ALDH1A1MAPT
SCHEMBL1680692 0.83 MEN1 (0.47) MAOBALOX5APFEN1ALDH1A1MAPT
SCHEMBL29770616 0.83 MEN1 (0.47) MAOBALOX5APFEN1ALDH1A1MAPT
SCHEMBL3539048 0.81 CYP19A1 (0.40) ALOX5APFEN1ALDH1A1SMN1; SMN2MEN1
SCHEMBL11425602 0.79 MAOB (0.61) MAOBALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL5706550 0.78 MAOB (0.60) MAOBALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL14684302 0.78 MAOB (0.60) MAOBALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL2194408 0.78 CYP19A1 (0.66) ALDH1A1SMN1; SMN2LTA4HCYP19A1
SCHEMBL23900708 0.78 ALOX5AP (0.47) ALOX5APFEN1LTA4HCYP19A1KDR
SCHEMBL1936332 0.78 POLB (0.49) ALDH1A1POLBLTA4HKDR

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 802/4885ALOX5AP 2720/4885FEN1 2275/4885

“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.