SCHEMBL2923197

SCHEMBL2923197

COc1cc2nc(N3CCOCC3)nc(N3CCN(C(=O)OC(C)(C)C)CC3)c2cc1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 5/20 0.66
TLR7 Q9NYK1 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.57
KMT5A Q9NQR1 1/20 0.53
WHR1 P49842 3/20 0.53
PIK3CA P42336 3/20 0.53
PIK3CD O00329 1/20 0.50
PIK3R1 P27986 1/20 0.50
PIK3CB P42338 1/20 0.50
PIK3CG P48736 1/20 0.50
PIK3R5 Q8WYR1 1/20 0.50
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
GLA P06280 2/20 0.49
HSD17B10 Q99714 2/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
SLC22A1 O15245 1/20 0.49

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
SCHEMBL19385362 0.87 TLR7 (0.63) TLR9TLR7KMT5A
SCHEMBL2914245 0.87 SMN1; SMN2 (0.60) TLR9TLR7SMN1; SMN2WHR1PIK3CA
SCHEMBL19385278 0.84 TLR9 (0.73) TLR9TLR7SMN1; SMN2KMT5AWHR1
SCHEMBL29937021 0.84 TLR9 (0.73) TLR9TLR7SMN1; SMN2KMT5AWHR1
SCHEMBL2918315 0.83 TLR9 (0.66) TLR9TLR7SMN1; SMN2KMT5AALDH1A1
SCHEMBL3772303 0.83 NSD2 (0.59) TLR9TLR7SMN1; SMN2KMT5AWHR1
SCHEMBL19385275 0.83 TLR9 (0.67) TLR9TLR7SMN1; SMN2KMT5AWHR1
SCHEMBL19405154 0.83 TLR9 (0.67) TLR9TLR7KMT5AWHR1ADRA2A
SCHEMBL16908230 0.83 TLR9 (0.47) TLR9TLR7SMN1; SMN2PIK3CAPIK3CD
SCHEMBL19385115 0.81 TLR7 (0.67) TLR9TLR7KMT5A

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 10 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
CN-1169795-C Nitrogenous heterocyclic compounds Э�ͷ��͹�ҵ��ʽ���� 2004-10-06 CN 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
CN-1208404-A Nitrogenous heterocyclic compounds KYOWA HAKKO KOGYO KK (JP) 1999-02-17 CN 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 3569/4885SMN1; SMN2 3739/4885
US-20020068734-A1 Nitrogen-containing heterocyclic compounds PDGFRB, MKI67, PDGFRA TLR9 3520/4885TLR7 3676/4885SMN1; SMN2 3955/4885

“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.