SCHEMBL12251020

SCHEMBL12251020

COC(=O)Nc1cc(COc2cccnc2N2CCN(C(=O)Nc3cccc(Br)c3)CC2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 4/20 0.48
▸ LIMK2 P53671 1/20 0.46
▸ PDGFRB P09619 7/20 0.42
▸ KIT P10721 1/20 0.42
▸ PDGFRA P16234 1/20 0.42
▸ FLT3 P36888 1/20 0.42
▸ RBP4 P02753 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
SCHEMBL5573600 0.92 TRPV1 (0.49) TRPV1LIMK2PDGFRB
SCHEMBL12251021 0.91 P2RY12 (0.49) LIMK2PDGFRBKIT
SCHEMBL12251013 0.90 PDGFRB (0.45) PDGFRB
SCHEMBL5569274 0.85 LIMK2 (0.51) LIMK2PDGFRBKIT
SCHEMBL2381747 0.84 TRPV1 (0.47) TRPV1LIMK2PDGFRBKITPDGFRA
SCHEMBL2385195 0.83 PDGFRB (0.44) TRPV1PDGFRBKIT
SCHEMBL2401520 0.83 MEN1 (0.50) PDGFRB
SCHEMBL12251049 0.80 DRD2 (0.41) TRPV1PDGFRB
SCHEMBL2383895 0.79 TRPV1 (0.52) TRPV1LIMK2PDGFRB
SCHEMBL2383727 0.78 DRD2 (0.51) PDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 4108/4885LIMK2 328/4885PDGFRB 45/4885

“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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