SCHEMBL2386673

SCHEMBL2386673

O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC1CCN(c2nccnc2OCc2ccncc2)C1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 8/20 0.53
▸ CA1 P00915 8/20 0.53
▸ CA2 P00918 8/20 0.53
▸ CA4 P22748 8/20 0.53
▸ CA7 P43166 8/20 0.53
▸ CA9 Q16790 8/20 0.53
▸ TRPV1 Q8NER1 4/20 0.49
▸ PAK1 Q13153 2/20 0.48
▸ PAK3 O75914 1/20 0.48
▸ PAK2 Q13177 1/20 0.48
▸ CDK8 P49336 3/20 0.47
▸ CCNC P24863 2/20 0.47
▸ F10 P00742 1/20 0.44
▸ EPHB4 P54760 1/20 0.43
▸ CXCR3 P49682 1/20 0.43
▸ USP30 Q70CQ3 1/20 0.43
▸ KIT P10721 1/20 0.42

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
SCHEMBL2384698 0.93 CDK8 (0.53) CA12CA1CA2CA4CA7
SCHEMBL2387043 0.84 CDK8 (0.51) CA12CA1CA2CA4CA7
SCHEMBL2381611 0.80 TRPV1 (0.57) TRPV1KIT
SCHEMBL2385230 0.80 TRPV1 (0.57) TRPV1KIT
SCHEMBL2383360 0.80 TRPV1 (0.52) TRPV1KIT
SCHEMBL2382762 0.79 TRPV1 (0.55) TRPV1F10EPHB4KIT
SCHEMBL2382881 0.77 PDE10A (0.53) USP30
SCHEMBL2384912 0.77 TRPV1 (0.49) TRPV1KIT
SCHEMBL2382673 0.75 TRPV1 (0.42) TRPV1F10EPHB4
SCHEMBL2383853 0.75 LDHA (0.44) TRPV1PAK1PAK3PAK2CDK8

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 CA12 2796/4885CA1 3906/4885CA2 1877/4885

“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