SCHEMBL4398201

SCHEMBL4398201

CC1CN(Cc2c[nH]nc2-c2ccc(F)cc2)CCN1c1ccc(C(F)(F)F)cn1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.42
SGPL1 O95470 1/20 0.42
SMO Q99835 3/20 0.40
CXCR3 P49682 6/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 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
SCHEMBL14311334 0.92 SGPL1 (0.41) PTGDR2SGPL1SMOCXCR3LMNA
SCHEMBL13590836 0.92 SGPL1 (0.41) PTGDR2SGPL1SMOCXCR3LMNA
SCHEMBL4244454 0.92 SGPL1 (0.41) PTGDR2SGPL1SMOCXCR3LMNA
SCHEMBL13592416 0.92 SGPL1 (0.41) PTGDR2SGPL1SMOCXCR3LMNA
SCHEMBL13590953 0.90 SGPL1 (0.40) PTGDR2SGPL1SMOCXCR3LMNA
SCHEMBL4245413 0.90 SGPL1 (0.40) PTGDR2SGPL1SMOCXCR3LMNA
SCHEMBL4246755 0.90 SGPL1 (0.41) PTGDR2SGPL1SMOCXCR3LMNA
SCHEMBL13590947 0.90 MAOB (0.45) SGPL1SMOCXCR3
SCHEMBL13590946 0.90 MAOB (0.45) SGPL1SMOCXCR3
SCHEMBL4249119 0.90 MAOB (0.45) SGPL1SMOCXCR3

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-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2009-12-10 US claimed
US-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2009-12-10 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-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IP6K1, IP6K2, IP6K3 PTGDR2 2402/4885SGPL1 656/4885SMO 1890/4885

“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.