SCHEMBL2134068

SCHEMBL2134068

CCNC(=O)Nc1ncc(-c2cncc(C(=O)OC)c2)c(-c2nc(C(F)(F)F)c(CNC3CCCCC3)s2)c1C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.32
PIK3CD O00329 1/20 0.32
CYP2A6 P11509 1/20 0.31
FGFR1 P11362 1/20 0.31
CYP2D6 P10635 1/20 0.31
GRIN2B Q13224 1/20 0.31

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
SCHEMBL2137739 0.99 PIK3CD (0.32) KCNH2PIK3CDCYP2A6FGFR1CYP2D6
SCHEMBL2136699 0.97 PIK3CD (0.33) PIK3CDCYP2A6FGFR1
SCHEMBL2131391 0.93
SCHEMBL1505480 0.88 POLQ (0.34)
SCHEMBL1505605 0.87 POLQ (0.34) PIK3CD
SCHEMBL2134060 0.87
SCHEMBL1505387 0.86 FGFR1 (0.34) PIK3CDCYP2A6FGFR1
SCHEMBL2137731 0.86
SCHEMBL1505476 0.84 POLQ (0.36) PIK3CDCYP2A6
SCHEMBL2133900 0.83 FGFR1 (0.43) FGFR1

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 1 patent. 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

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 KCNH2 3963/4885PIK3CD 3475/4885CYP2A6 754/4885

“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.