SCHEMBL2917441

SCHEMBL2917441

COc1cc2c(N3CCNCC3)ncnc2cc1C

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.60
BACE1 P56817 8/20 0.60
CYP1A2 P05177 3/20 0.60
CYP3A4 P08684 3/20 0.60
CYP2C19 P33261 3/20 0.60
CLK4 Q9HAZ1 3/20 0.60
USP2 O75604 2/20 0.60
ALDH1A1 P00352 2/20 0.60
ENPP1 P22413 2/20 0.59
PDE10A Q9Y233 3/20 0.59
HSD17B10 Q99714 1/20 0.55
PDGFRB P09619 2/20 0.53
HTT P42858 1/20 0.53

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
SCHEMBL2389420 0.91 ACHE (0.72) ACHEBACE1CYP1A2CYP3A4CYP2C19
SCHEMBL30080059 0.86 ENPP1 (0.77) ACHEBACE1CYP1A2CYP3A4CYP2C19
SCHEMBL2921150 0.86 ENPP1 (0.77) ACHEBACE1CYP1A2CYP3A4CYP2C19
SCHEMBL19695780 0.86 CYP1A2 (0.61) ACHEBACE1CYP1A2CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL23726737 0.85 ENPP1 (0.75) ACHEBACE1CYP1A2CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL30080123 0.85 ENPP1 (0.75) ACHEBACE1CYP1A2CYP3A4CYP2C19
SCHEMBL25656099 0.81 CYP1A2 (0.56) ACHEBACE1CYP1A2CYP3A4CYP2C19
SCHEMBL2914101 0.80 ENPP1 (0.60) ACHEBACE1CYP1A2CYP3A4CYP2C19
SCHEMBL11882354 0.80 ACHE (0.88) ACHEBACE1ENPP1PDE10A
SCHEMBL6705489 0.80 KDM1A (0.76) ACHEBACE1CYP1A2CYP3A4CYP2C19

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 ACHE 4815/4885BACE1 4443/4885CYP1A2 4038/4885
US-20020068734-A1 Nitrogen-containing heterocyclic compounds PDGFRB, MKI67, PDGFRA ACHE 4850/4885BACE1 4559/4885CYP1A2 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.