SCHEMBL2384052

SCHEMBL2384052

COc1cccc(NC(=O)N2CCN(c3ncccc3OCc3ccnc(N)n3)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LIMK2 P53671 1/20 0.54
KIT P10721 3/20 0.51
P2RY12 Q9H244 2/20 0.50
HTT P42858 2/20 0.49
MAPK1 P28482 3/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
TSHR P16473 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HSD17B10 Q99714 1/20 0.48
FAAH O00519 2/20 0.47
PDGFRB P09619 4/20 0.46

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
SCHEMBL2719147 0.92 PDGFRB (0.46) LIMK2KITHSD17B10PDGFRB
SCHEMBL12302347 0.91 NPSR1 (0.45) LIMK2KITP2RY12HSD17B10PDGFRB
SCHEMBL2717511 0.91 PI4KB (0.53) LIMK2P2RY12ALDH1A1LMNAMAPT
SCHEMBL2716460 0.90 ROCK2 (0.49) LIMK2KITP2RY12HSD17B10FAAH
SCHEMBL2385076 0.90 HSD17B10 (0.48) LIMK2KITP2RY12HTTMAPK1
SCHEMBL2385769 0.89 PDGFRB (0.44) LIMK2KITP2RY12MAPK1MAPT
SCHEMBL2383066 0.89 TRPV1 (0.52) LIMK2ALDH1A1MAPTHSD17B10FAAH
SCHEMBL2384692 0.89 PDGFRB (0.52) P2RY12MAPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL2383895 0.89 TRPV1 (0.52) LIMK2HSD17B10PDGFRB
SCHEMBL2383318 0.89 GAA (0.51) ALDH1A1KDM4EPDGFRB

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 LIMK2 328/4885KIT 46/4885P2RY12 1298/4885

“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.