SCHEMBL2923711

SCHEMBL2923711

CCn1c(=O)[nH]c2cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)ncnc3cc21

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.51
PDGFRB P09619 7/20 0.46
ACHE P22303 1/20 0.42
BACE1 P56817 1/20 0.42
MTNR1B P49286 1/20 0.42
KCNH2 Q12809 1/20 0.42
TLR9 Q9NR96 4/20 0.41
TLR7 Q9NYK1 2/20 0.41
MAP4K4 O95819 1/20 0.41
ENPP1 P22413 1/20 0.40
PDGFRA P16234 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GALR2 O43603 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL2919286 0.83 PDGFRB (0.62) KITPDGFRBACHEBACE1MTNR1B
Hydrochloric Acid SCHEMBL8825749 0.80 ALDH1A1 (0.43) PDGFRBENPP1KDM4ELMNAMAPT
Hydrochloric Acid SCHEMBL8825733 0.78 ACHE (0.52) PDGFRBACHEBACE1KDM4ELMNA
SCHEMBL13876153 0.78 KIT (0.54) KITACHEKCNH2MAP4K4KDM4E
SCHEMBL2920514 0.78 PDGFRB (0.78) KITPDGFRBPDGFRA
SCHEMBL2918437 0.76 KIT (0.56) KITPDGFRBACHEBACE1MTNR1B
Hydrochloric Acid SCHEMBL8825671 0.76 ACHE (0.57) PDGFRBACHEBACE1KDM4ELMNA
SCHEMBL2916238 0.74 KIT (0.62) KITPDGFRBACHEBACE1TLR9
SCHEMBL2912892 0.74 ACHE (0.65) PDGFRBACHEBACE1TLR9TLR7
SCHEMBL2919932 0.74 ACHE (0.65) PDGFRBACHEBACE1TLR9TLR7

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 KIT 2045/4885PDGFRB 3/4885ACHE 4815/4885
US-20020068734-A1 Nitrogen-containing heterocyclic compounds PDGFRB, MKI67, PDGFRA KIT 1535/4885PDGFRB 1/4885ACHE 4850/4885

“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.