SCHEMBL2923586

SCHEMBL2923586

COc1cc2c(C3CNCCN3C(=O)OC(C)(C)C)ncnc2cc1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 5/20 0.50
TLR7 Q9NYK1 4/20 0.50
EGFR P00533 2/20 0.44
PDGFRB P09619 1/20 0.43
EPHA2 P29317 1/20 0.43
KDR P35968 1/20 0.43
EPHB4 P54760 1/20 0.43
KIT P10721 7/20 0.43
IRAK1 P51617 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
KDM1A O60341 1/20 0.42
MAPK7 Q13164 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
SCHEMBL2920961 1.00 TLR9 (0.50) TLR9TLR7EGFRPDGFRBEPHA2
SCHEMBL28507911 0.81 SSTR4 (0.40) KITIRAK4
SCHEMBL2798262 0.78 MAP4K4 (0.41) EPHA2KDREPHB4KITIRAK4
SCHEMBL30826990 0.76 PARP1 (0.37) EPHA2KDREPHB4IRAK4MAPK7
SCHEMBL30618082 0.75 MAP4K4 (0.38) KITIRAK4MAPK7
SCHEMBL2918088 0.75 TLR9 (0.76) TLR9TLR7PDGFRBKIT
SCHEMBL23726611 0.73 TLR9 (0.71) TLR9TLR7PDGFRBKIT
SCHEMBL30080195 0.73 TLR9 (0.71) TLR9TLR7PDGFRBKIT
SCHEMBL27620947 0.72 PRMT5 (0.40)
SCHEMBL4977833 0.71 PDE3A (0.57) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882717-B1 NITROGENOUS HETEROCYCLIC COMPOUNDS KYOWA HAKKO KIRIN CO LTD (JP) 2010-09-08 EP disclosed
US-6750218-B2 INHIBITORY ACTIVITY ON PHOSPHORYLATION OF PLATELET-DERIVED GROWTH FACTOR (PDGF) RECEPTOR USEFUL FOR THE TREATMENT OF CELL-PROLIFERATIVE DISEASES SUCH AS ARTERIOSCLEROSIS, VASCULAR REOBSTRUCTION, CANCER AND GLOMERULOSCLEROSIS MILLENNIUMIUM PHARMACEUTICALS, INC. 2004-06-15 US disclosed
US-20030229077-A1 Nitrogen-containing heterocyclic compounds MATSUNO KENJI (JP) 2003-12-11 US disclosed
US-6472391-B2 INHIBIT PHOSPHORYLATION OF PDGF RECEPTOR TO HINDER ABNORMAL CELL GROWTH AND CELL WANDERING; TREATMENT OF CELL-PROLIFERATIVE DISEASES SUCH AS ARTERIOSCLEROSIS, VASCULAR REOBSTRUCTION, CANCER AND GLOMERULOSCLEROSIS. MILLENNIUM PHARMACEUTICALS, INC. 2002-10-29 US disclosed
US-20020068734-A1 Nitrogen-containing heterocyclic compounds MILLENNIUM PHARMACEUTICALS, INC. 2002-06-06 US disclosed
US-6207667-B1 USEFUL FOR THE TREATMENT OF CELL-PROLIFERATIVE DISEASES SUCH AS ARTERIOSCLEROSIS, VASCULAR REOBSTRUCTION, CANCER AND GLOMERULOSCLEROSIS KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-03-27 US disclosed
US-6169088-B1 FOR THE PREVENTION OR TREATMENT OF CELL-PROLIFERATIVE DISEASES SUCH AS ARTERIOSCLEROSIS, VASCULAR REOBSTRUCTION, CANCER AND GLOMERULOSCLEROSIS KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-01-02 US disclosed
EP-0882717-A1 NITROGENOUS HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1998-12-09 EP 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 (2 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-20030229077-A1 Nitrogen-containing heterocyclic compounds ERBB4, NPR1, PDGFRB TLR9 3444/4885TLR7 3569/4885EGFR 11/4885
US-20020068734-A1 Nitrogen-containing heterocyclic compounds PDGFRB, MKI67, PDGFRA TLR9 3520/4885TLR7 3676/4885EGFR 19/4885

“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.