SCHEMBL1505423

SCHEMBL1505423

CCNC(=O)Nc1ncc(-c2cncc(C(=O)OC)c2)c(-c2nc(C(F)(F)F)c(C(=O)NCCN3CCOCC3)s2)c1C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 4/20 0.42
EPHX2 P34913 3/20 0.39
PDE4B Q07343 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
ALOX15 P16050 1/20 0.37
CD274 Q9NZQ7 2/20 0.36
ABL1 P00519 1/20 0.36
GAA P10253 1/20 0.36
PDPK1 O15530 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
HSD17B10 Q99714 1/20 0.36
FGFR1 P11362 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR4 P22455 1/20 0.36

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
SCHEMBL1505527 0.94 FGFR1 (0.42) RAF1POLBABL1FGFR1FGFR2
SCHEMBL1505549 0.91 RAF1 (0.41) RAF1EPHX2
SCHEMBL1505687 0.90 RAF1 (0.38) RAF1EPHX2PDE4BABL1FGFR1
SCHEMBL1505409 0.89 PIK3CD (0.34) FGFR1
SCHEMBL1505422 0.88 RAF1 (0.42) RAF1PDE4BABL1
SCHEMBL1505476 0.86 POLQ (0.36)
SCHEMBL1505605 0.85 POLQ (0.34) EPHX2ALDH1A1
SCHEMBL1505480 0.84 POLQ (0.34) EPHX2ALDH1A1
SCHEMBL1505516 0.84 FGFR1 (0.40) FGFR1FGFR2FGFR4FGFR3
SCHEMBL2133900 0.84 FGFR1 (0.43) POLBABL1FGFR1FGFR2FGFR4

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
US-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2012-04-26 US disclosed
WO-2011024004-A1 HETEROCYCLIC UREA DERIVATIVES USEFUL FOR TREATMENT OF BACTERIAL INFECTION ASTRAZENECA AB (SE) 2011-03-03 WO disclosed
EP-2262801-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 AstraZeneca AB (SE) 2010-12-22 EP disclosed
WO-2009106885-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2009-09-03 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-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 UROD, UMPS, SLC14A1 RAF1 2888/4885EPHX2 1658/4885PDE4B 893/4885

“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.