SCHEMBL2920903

SCHEMBL2920903

CCOc1cc2cnc(N3CCNCC3)nc2cc1OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
ALDH1A1 P00352 12/20 0.45
HPGD P15428 7/20 0.45
KDM4E B2RXH2 1/20 0.45
APAF1 O14727 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
UBE2N P61088 1/20 0.45
CYP1A2 P05177 11/20 0.43
HSD17B10 Q99714 10/20 0.43
CASP1 P29466 9/20 0.43
CASP7 P55210 9/20 0.43
CYP3A4 P08684 5/20 0.41
TSHR P16473 5/20 0.41
CYP2C19 P33261 4/20 0.41
USP2 O75604 4/20 0.39
HIF1A Q16665 3/20 0.39
CYP2D6 P10635 1/20 0.39
HTR3A P46098 1/20 0.39

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
SCHEMBL2921304 0.86 ALDH1A1 (0.60) CHRNB2CHRNA4ALDH1A1HPGDKDM4E
SCHEMBL6705495 0.86 ALDH1A1 (0.51) CHRNB2CHRNA4ALDH1A1HPGDKDM4E
SCHEMBL2921147 0.82 ALDH1A1 (0.55) CHRNB2CHRNA4ALDH1A1HPGDKDM4E
SCHEMBL20630862 0.78 KDM4E (0.75) ALDH1A1HPGDKDM4EAPAF1POLB
SCHEMBL1132491 0.74 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EAPAF1POLB
SCHEMBL9686606 0.73 ALDH1A1 (0.43) ALDH1A1HPGDCYP1A2HSD17B10CASP1
SCHEMBL5987648 0.72 KDM4E (0.49) CHRNB2CHRNA4ALDH1A1HPGDKDM4E
SCHEMBL3366838 0.71 CHRNB2 (0.52) CHRNB2CHRNA4ALDH1A1HPGDCYP1A2
SCHEMBL3368105 0.71 CHRNB2 (0.52) CHRNB2CHRNA4ALDH1A1HPGDMAPT
SCHEMBL1132495 0.71 ALDH1A1 (0.43) CHRNB2CHRNA4ALDH1A1HPGDKDM4E

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 9 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
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 CHRNB2 2463/4885CHRNA4 1479/4885ALDH1A1 3252/4885
US-20020068734-A1 Nitrogen-containing heterocyclic compounds PDGFRB, MKI67, PDGFRA CHRNB2 2852/4885CHRNA4 1990/4885ALDH1A1 3314/4885

“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.