SCHEMBL2401520

SCHEMBL2401520

CCc1cccc(NC(=O)Nc2cc(COc3cccnc3N3CCN(C(=O)Nc4cccc(CC)c4)CC3)ccn2)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ DRD2 P14416 2/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ PPIA P62937 5/20 0.44
▸ PDGFRB P09619 2/20 0.44
▸ P2RY12 Q9H244 3/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ DRD4 P21917 1/20 0.42
▸ DRD3 P35462 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
SCHEMBL2385195 0.93 PDGFRB (0.44) MEN1KMT2ADRD2PDGFRBP2RY12
SCHEMBL12251013 0.93 PDGFRB (0.45) MEN1KMT2ADRD2PDGFRBP2RY12
SCHEMBL2383727 0.88 DRD2 (0.51) DRD2HTR1APDGFRBP2RY12MAPT
SCHEMBL12251049 0.87 DRD2 (0.41) DRD2HTR1APDGFRBP2RY12MAPT
SCHEMBL5569274 0.85 LIMK2 (0.51) PDGFRBP2RY12MAPTMAPK1
SCHEMBL5573600 0.84 TRPV1 (0.49) PDGFRBP2RY12
SCHEMBL12251021 0.84 P2RY12 (0.49) PDGFRBP2RY12MAPTMAPK1
SCHEMBL12251020 0.83 TRPV1 (0.48) PDGFRB
SCHEMBL2385769 0.82 PDGFRB (0.44) MEN1KMT2ADRD2PDGFRBP2RY12
SCHEMBL12251100 0.81 DRD2 (0.42) DRD2PDGFRBDRD4DRD3

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 8 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 claimed
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 MEN1 1132/4885KMT2A 682/4885DRD2 4047/4885

“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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