SCHEMBL10275632

SCHEMBL10275632

CC1=C(c2ccc(C(F)(F)F)cc2)C=C2NC(c3ccc(C(F)(F)F)cc3)=CC(=O)N2N1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAD51 Q06609 1/20 0.33
BACE1 P56817 1/20 0.33
SLC11A2 P49281 1/20 0.32
KIF11 P52732 1/20 0.32
XPO1 O14980 1/20 0.31
TDP2 O95551 2/20 0.31
NOTUM Q6P988 1/20 0.31
PIM1 P11309 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
TNKS O95271 1/20 0.30
TNKS2 Q9H2K2 1/20 0.30
PARP2 Q9UGN5 1/20 0.30
MAPT P10636 2/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL10275417 0.91 KIF11 (0.44) KIF11
SCHEMBL10275773 0.86 APP (0.34) KIF11TDP2
SCHEMBL10275411 0.85 APP (0.37) KIF11TDP2
SCHEMBL12825921 0.76 BACE1 (0.37) BACE1KIF11TNKSTNKS2PARP2
SCHEMBL10275481 0.76 ADAM17 (0.35) KIF11TDP2
SCHEMBL10275437 0.73 APP (0.35) BACE1KIF11TDP2
SCHEMBL10276303 0.69 SLC11A2 (0.33) SLC11A2XPO1NOTUM
SCHEMBL10276350 0.66 PDE3B (0.34) KIF11TDP2PARP2
SCHEMBL10275868 0.61 RAD51 (0.33) RAD51BACE1SLC11A2KIF11TDP2
SCHEMBL2081875 0.57 KIF11 (0.43) BACE1KIF11TDP2NOTUMPIM1

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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US claimed

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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF TYMP, TYMS, ADORA3 RAD51 1465/4885BACE1 47/4885SLC11A2 4127/4885

“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.