SCHEMBL2918853

SCHEMBL2918853

CCOc1cc2ncnc(N3CCNCC3)c2cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.51
HTT P42858 2/20 0.50
CYP1A2 P05177 5/20 0.48
CYP3A4 P08684 5/20 0.48
CYP2C19 P33261 4/20 0.48
CLK4 Q9HAZ1 4/20 0.48
USP2 O75604 3/20 0.48
ALDH1A1 P00352 3/20 0.48
ACHE P22303 4/20 0.47
BACE1 P56817 4/20 0.47
HSD17B10 Q99714 2/20 0.47
CYP2D6 P10635 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
PDE10A Q9Y233 1/20 0.46
AURKA O14965 1/20 0.46
KDM1A O60341 2/20 0.46
PDGFRB P09619 2/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL2914101 0.90 ENPP1 (0.60) ENPP1HTTCYP1A2CYP3A4CYP2C19
SCHEMBL2389420 0.79 ACHE (0.72) ENPP1CYP1A2CYP3A4CYP2C19CLK4
SCHEMBL6705489 0.77 KDM1A (0.76) ENPP1HTTCYP1A2CYP3A4CYP2C19
SCHEMBL2921150 0.75 ENPP1 (0.77) ENPP1CYP1A2CYP3A4CYP2C19CLK4
SCHEMBL30080059 0.75 ENPP1 (0.77) ENPP1CYP1A2CYP3A4CYP2C19CLK4
Hydrochloric Acid SCHEMBL23726737 0.74 ENPP1 (0.75) ENPP1CYP1A2CYP3A4CYP2C19CLK4
Hydrochloric Acid SCHEMBL30080123 0.74 ENPP1 (0.75) ENPP1CYP1A2CYP3A4CYP2C19CLK4
SCHEMBL2917441 0.73 ACHE (0.60) ENPP1HTTCYP1A2CYP3A4CYP2C19
SCHEMBL2949507 0.73 TLR7 (0.63) ENPP1HTTCYP1A2CYP3A4CYP2C19
SCHEMBL19695782 0.73 CYP1A2 (0.64) ENPP1CYP1A2CYP3A4CYP2C19CLK4

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 ENPP1 1146/4885HTT 3199/4885CYP1A2 4038/4885
US-20020068734-A1 Nitrogen-containing heterocyclic compounds PDGFRB, MKI67, PDGFRA ENPP1 1383/4885HTT 3297/4885CYP1A2 4026/4885

“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.