SCHEMBL2385392

SCHEMBL2385392

CC1CN(c2nc3ccccc3nc2OCc2ccncc2)CCN1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 5/20 0.53
▸ HRH4 Q9H3N8 3/20 0.50
▸ KIT P10721 6/20 0.45
▸ CHRM4 P08173 1/20 0.43
▸ RBP4 P02753 1/20 0.42
▸ CHRM2 P08172 2/20 0.41
▸ CHRM1 P11229 2/20 0.41
▸ CHRM3 P20309 2/20 0.41
▸ PDGFRB P09619 1/20 0.41
▸ PDGFRA P16234 1/20 0.41
▸ F10 P00742 1/20 0.41

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
SCHEMBL2386795 0.94 TRPV1 (0.51) TRPV1HRH4KITCHRM4RBP4
SCHEMBL2385230 0.89 TRPV1 (0.57) TRPV1KITCHRM4RBP4
SCHEMBL2381611 0.89 TRPV1 (0.57) TRPV1KITCHRM4RBP4
SCHEMBL2385509 0.88 TRPV1 (0.54) TRPV1KITCHRM4RBP4CHRM2
SCHEMBL2383659 0.88 TRPV1 (0.54) TRPV1KITCHRM4RBP4CHRM2
SCHEMBL2384981 0.88 TRPV1 (0.54) TRPV1KITCHRM4RBP4CHRM2
SCHEMBL2384457 0.85 HRH4 (0.51) TRPV1HRH4KITPDGFRBPDGFRA
SCHEMBL2383043 0.83 TRPV1 (0.57) TRPV1KITCHRM4RBP4F10
SCHEMBL2385139 0.83 TRPV1 (0.57) TRPV1KITCHRM4RBP4F10
SCHEMBL2384709 0.81 TRPV1 (0.53) TRPV1KITCHRM4RBP4F10

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 TRPV1 4108/4885HRH4 2917/4885KIT 46/4885

“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.

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