SCHEMBL5318385

SCHEMBL5318385

N#Cc1nccc(Oc2cccc(NC(=O)O)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
KDR P35968 7/20 0.43
LOXL2 Q9Y4K0 3/20 0.43
LOX P28300 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTT P42858 3/20 0.40
MAPK1 P28482 2/20 0.40
MITF O75030 1/20 0.40
POLB P06746 1/20 0.40
BRAF P15056 1/20 0.39
MAPK14 Q16539 1/20 0.39

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
SCHEMBL5317905 0.85 P2RX3 (0.45) ALDH1A1KDRLOXL2LOXNPC1
SCHEMBL14447626 0.85 ALDH1A1 (0.41) ALDH1A1KDRCYP1A2CYP3A4CYP2C9
SCHEMBL5319496 0.83 MITF (0.46) ALDH1A1KDRLOXL2LOXNPC1
SCHEMBL5321238 0.78 LOXL2 (0.47) ALDH1A1KDRLOXL2LOXNPC1
SCHEMBL5317859 0.77 KDR (0.56) ALDH1A1KDRBRAFMAPK14TNNI3K
SCHEMBL23213631 0.76 GRM4 (0.52) ALDH1A1KDRLOXL2LOXRAB9A
SCHEMBL12688497 0.76 KDR (0.51) KDR
SCHEMBL3277572 0.73 F10 (0.40) LOXL2LOX
SCHEMBL5422490 0.73 RAB9A (0.40) ALDH1A1KDRLOXL2LOXNPC1
SCHEMBL8720576 0.73 MAPT (0.48) ALDH1A1KDRCYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070155764-A1 NOVEL SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 US disclosed
WO-2007076473-A2 SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 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-20070155764-A1 NOVEL SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES BRAF, ARAF, RAF1 ALDH1A1 3164/4885KDR 555/4885LOXL2 3166/4885

“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.