SCHEMBL2385139

SCHEMBL2385139

CC1CN(c2nccnc2OCc2ccncc2)CCN1C(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 5/20 0.57
▸ F10 P00742 1/20 0.47
▸ KIT P10721 4/20 0.47
▸ EPHB4 P54760 1/20 0.46
▸ RBP4 P02753 1/20 0.45
▸ CHRM4 P08173 1/20 0.45
▸ UBE2M P61081 1/20 0.44
▸ DCUN1D1 Q96GG9 1/20 0.44
▸ LIMK2 P53671 4/20 0.43
▸ FLT1 P17948 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL2383043 1.00 TRPV1 (0.57) TRPV1F10KITEPHB4RBP4
SCHEMBL2381611 0.93 TRPV1 (0.57) TRPV1KITRBP4CHRM4
SCHEMBL2385230 0.93 TRPV1 (0.57) TRPV1KITRBP4CHRM4
SCHEMBL2384709 0.91 TRPV1 (0.53) TRPV1F10KITEPHB4RBP4
SCHEMBL12250883 0.91 TRPV1 (0.53) TRPV1F10KITEPHB4RBP4
SCHEMBL2383664 0.91 TRPV1 (0.53) TRPV1F10KITEPHB4RBP4
SCHEMBL2386795 0.90 TRPV1 (0.51) TRPV1F10KITEPHB4RBP4
SCHEMBL2385012 0.89 TRPV1 (0.55) TRPV1F10KITEPHB4UBE2M
SCHEMBL2381618 0.88 TRPV1 (0.56) TRPV1F10KITEPHB4UBE2M
SCHEMBL2384671 0.88 KIT (0.49) TRPV1F10KITLIMK2

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 7 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

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 4108/4885F10 1892/4885KIT 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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