SCHEMBL2385069

SCHEMBL2385069

O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(c2nsnc2OC2CN3CCC2CC3)CC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PAK1 Q13153 1/20 0.40
▸ CHRM1 P11229 3/20 0.40
▸ TRPV1 Q8NER1 4/20 0.39
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ NR2E1 Q9Y466 1/20 0.38
▸ MAPK10 P53779 1/20 0.37
▸ CNR2 P34972 1/20 0.37

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
SCHEMBL2382932 0.83 TRPV1 (0.42) PAK1TRPV1LMNAMAPTNR2E1
SCHEMBL12250871 0.77 TRPV1 (0.47) PAK1TRPV1LMNAMAPTNR2E1
SCHEMBL2385128 0.77 PAK1 (0.43) PAK1TRPV1LMNAMAPTNR2E1
SCHEMBL2382905 0.77 TRPV1 (0.46) PAK1TRPV1LMNAMAPTNR2E1
SCHEMBL2383500 0.77 TRPV1 (0.52) TRPV1LMNAMAPTNR2E1CNR2
SCHEMBL2384156 0.77 TRPV1 (0.43) PAK1TRPV1LMNAMAPTNR2E1
SCHEMBL2385364 0.76 CCR2 (0.41) PAK1TRPV1LMNAMAPTNR2E1
SCHEMBL2384579 0.76 IDH2 (0.44) PAK1TRPV1
SCHEMBL2382791 0.76 TRPV1 (0.43) TRPV1LMNAMAPTCNR2
SCHEMBL2385875 0.76 TRPV1 (0.44) TRPV1LMNAMAPTNR2E1MAPK10

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 — — US claimed
US-8013156-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2011-09-06 — — US disclosed
US-8013156-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2011-09-06 — — US disclosed
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
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 — — US disclosed
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 — — US disclosed
EP-1608373-A2 TIE-2 MODULATORS AND METHODS OF USE Exelixis Inc. (US) 2005-12-28 — — EP disclosed
WO-2004083235-A2 TIE-2 MODULATORS AND METHODS OF USE EXELIXIS INC. (US) 2004-09-30 — — 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-20070275952-A1 Tie-2 Modulators and Methods of Use TIE1, TEK, KDR PAK1 162/4885CHRM1 4201/4885TRPV1 4108/4885

“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.

Send feedback