SCHEMBL2384698

SCHEMBL2384698

O=C(Nc1cccc(C(F)(F)F)c1)NC1CCN(c2nccnc2OCc2ccncc2)C1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CDK8 P49336 1/20 0.53
▸ EPHB4 P54760 1/20 0.53
▸ DCUN1D1 Q96GG9 9/20 0.52
▸ UBE2M P61081 8/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ KIT P10721 1/20 0.52
▸ EPHX2 P34913 3/20 0.51
▸ F10 P00742 1/20 0.50
▸ TRPV1 Q8NER1 2/20 0.49
▸ CA12 O43570 2/20 0.49
▸ CA1 P00915 2/20 0.49
▸ CA2 P00918 2/20 0.49
▸ CA4 P22748 2/20 0.49
▸ CA7 P43166 2/20 0.49
▸ CA9 Q16790 2/20 0.49

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
SCHEMBL2386673 0.93 CA12 (0.53) CDK8EPHB4KITF10TRPV1
SCHEMBL2387043 0.91 CDK8 (0.51) CDK8EPHB4DCUN1D1UBE2MMEN1
SCHEMBL2385139 0.81 TRPV1 (0.57) EPHB4DCUN1D1UBE2MMEN1KMT2A
SCHEMBL2383043 0.81 TRPV1 (0.57) EPHB4DCUN1D1UBE2MMEN1KMT2A
SCHEMBL2385592 0.81 TRPV1 (0.55) EPHB4MEN1KMT2AKITF10
SCHEMBL2385012 0.80 TRPV1 (0.55) EPHB4DCUN1D1UBE2MMEN1KMT2A
SCHEMBL12302309 0.79 KMT2A (0.50) CDK8DCUN1D1UBE2MMEN1KMT2A
SCHEMBL2385717 0.78 TRPV1 (0.52) EPHB4MEN1KMT2AKITF10
SCHEMBL18615777 0.77 EPHX2 (0.60) EPHB4DCUN1D1UBE2MMEN1KMT2A
SCHEMBL20357253 0.77 EPHX2 (0.60) EPHB4DCUN1D1UBE2MMEN1KMT2A

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 CDK8 600/4885EPHB4 410/4885DCUN1D1 2101/4885

“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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