SCHEMBL2385073

SCHEMBL2385073

O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCNCC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
S1PR2 O95136 4/20 0.51
PAK1 Q13153 1/20 0.49
ADRB1 P08588 1/20 0.49
MAPT P10636 1/20 0.47
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
USP2 O75604 3/20 0.46
CYP2C9 P11712 2/20 0.46
CYP1A2 P05177 1/20 0.46
P2RX1 P51575 2/20 0.45
GPR35 Q9HC97 1/20 0.45
NR2E1 Q9Y466 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK10 P53779 1/20 0.44
HPGDS O60760 1/20 0.44

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
SCHEMBL2384223 0.86 POLB (0.61) POLBMAPTLMNAHTTUSP2
SCHEMBL1575401 0.85 GRIN2B (0.45) POLBS1PR2PAK1ADRB1MAPT
SCHEMBL655599 0.85 POLB (0.63) POLBMAPTHPGDS
Hydrochloric Acid SCHEMBL23246046 0.84 POLB (0.66) POLBMAPTHPGDS
SCHEMBL29185308 0.82 S1PR2 (0.51) S1PR2PAK1MAPTLMNAHTT
SCHEMBL8219109 0.81 S1PR2 (0.50) S1PR2PAK1MAPTLMNAHTT
SCHEMBL3072567 0.80 MAPT (0.59) POLBMAPTHPGDS
SCHEMBL1441236 0.78 LMNA (0.52) POLBMAPTLMNA
SCHEMBL15844894 0.78 TACR1 (0.52) ADRB1P2RX1CYP3A4
Hydrochloric Acid SCHEMBL28861578 0.78 POLB (0.58) POLBMAPTHPGDS

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-8013156-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 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-20070275952-A1 Tie-2 Modulators and Methods of Use TIE1, TEK, KDR POLB 3691/4885S1PR2 1136/4885PAK1 162/4885

“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.