SCHEMBL2914101

SCHEMBL2914101

CCOc1cc2ncnc(N3CCNCC3)c2cc1OCC

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.60
KDM1A O60341 3/20 0.55
ACHE P22303 4/20 0.54
BACE1 P56817 4/20 0.54
HTT P42858 1/20 0.54
PDGFRB P09619 4/20 0.53
PDE10A Q9Y233 1/20 0.53
CYP1A2 P05177 4/20 0.52
CYP3A4 P08684 4/20 0.52
CYP2C19 P33261 4/20 0.52
CLK4 Q9HAZ1 3/20 0.52
USP2 O75604 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL2918853 0.90 ENPP1 (0.51) ENPP1KDM1AACHEBACE1HTT
SCHEMBL2389420 0.86 ACHE (0.72) ENPP1ACHEBACE1PDE10ACYP1A2
SCHEMBL6705489 0.86 KDM1A (0.76) ENPP1KDM1AACHEBACE1HTT
SCHEMBL2949507 0.82 TLR7 (0.63) ENPP1KDM1AACHEBACE1HTT
SCHEMBL2921150 0.82 ENPP1 (0.77) ENPP1ACHEBACE1PDE10ACYP1A2
SCHEMBL30080059 0.82 ENPP1 (0.77) ENPP1ACHEBACE1PDE10ACYP1A2
Hydrochloric Acid SCHEMBL23726737 0.81 ENPP1 (0.75) ENPP1ACHEBACE1PDE10ACYP1A2
Hydrochloric Acid SCHEMBL30080123 0.81 ENPP1 (0.75) ENPP1ACHEBACE1PDE10ACYP1A2
SCHEMBL2917441 0.80 ACHE (0.60) ENPP1ACHEBACE1HTTPDGFRB
SCHEMBL19695780 0.79 CYP1A2 (0.61) ENPP1ACHEBACE1HTTPDE10A

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 11 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
US-3966936-A MUSCLE RELAXANTS PFIZER INC. (US) 1976-06-29 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 (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 ENPP1 1146/4885KDM1A 3484/4885ACHE 4815/4885
US-20020068734-A1 Nitrogen-containing heterocyclic compounds PDGFRB, MKI67, PDGFRA ENPP1 1383/4885KDM1A 3534/4885ACHE 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.