SCHEMBL2913230

SCHEMBL2913230

c1nc(N2CCNCC2)c2cc3c(cc2n1)OCO3

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 11/20 0.71
CYP3A4 P08684 11/20 0.71
CYP2C19 P33261 6/20 0.71
CYP2D6 P10635 5/20 0.71
LMNA P02545 4/20 0.71
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
HTT P42858 2/20 0.57
CLK4 Q9HAZ1 6/20 0.52
ALDH1A1 P00352 4/20 0.52
USP2 O75604 3/20 0.52
HSD17B10 Q99714 3/20 0.52
MAPK1 P28482 1/20 0.51
HIF1A Q16665 1/20 0.51
HTR2C P28335 4/20 0.50
KDM4E B2RXH2 3/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 2/20 0.49
PDE10A Q9Y233 1/20 0.48
PDGFRB P09619 1/20 0.48

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
SCHEMBL1675259 0.83 CYP1A2 (1.00) CYP1A2CYP3A4CYP2C19CYP2D6LMNA
SCHEMBL2923310 0.78 HTT (0.61) CYP1A2CYP3A4CYP2C19CYP2D6LMNA
SCHEMBL27111264 0.76 PDGFRB (0.50) CYP1A2CYP3A4CYP2C19CYP2D6LMNA
SCHEMBL2389420 0.74 ACHE (0.72) CYP1A2CYP3A4CYP2C19CLK4ALDH1A1
SCHEMBL19695833 0.73 HTT (0.63) CYP1A2CYP3A4CYP2C19CYP2D6LMNA
SCHEMBL22631347 0.73 HTT (0.63) CYP1A2CYP3A4CYP2C19CYP2D6LMNA
SCHEMBL30333325 0.73 HTT (0.63) CYP1A2CYP3A4CYP2C19CYP2D6LMNA
SCHEMBL17031445 0.73 HTT (0.63) CYP1A2CYP3A4CYP2C19CYP2D6LMNA
SCHEMBL3769963 0.73 PRKDC (0.71) CYP1A2CYP3A4CYP2C19CYP2D6LMNA
SCHEMBL25656099 0.73 CYP1A2 (0.56) CYP1A2CYP3A4CYP2C19CYP2D6LMNA

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 CYP1A2 4038/4885CYP3A4 3431/4885CYP2C19 3382/4885
US-20020068734-A1 Nitrogen-containing heterocyclic compounds PDGFRB, MKI67, PDGFRA CYP1A2 4026/4885CYP3A4 3701/4885CYP2C19 3290/4885

“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.