SCHEMBL2914939

SCHEMBL2914939

CCn1c(=O)n(CC)c2cc3c(N4CCNCC4)ncnc3cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 4/20 0.54
HTT P42858 1/20 0.50
ALDH1A1 P00352 4/20 0.48
CYP1A2 P05177 10/20 0.46
CYP3A4 P08684 10/20 0.46
CYP2C19 P33261 6/20 0.46
CYP2D6 P10635 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
ENPP1 P22413 1/20 0.46
CLK4 Q9HAZ1 8/20 0.46
USP2 O75604 5/20 0.45
HSD17B10 Q99714 3/20 0.45
TSHR P16473 1/20 0.45
HTR2C P28335 2/20 0.44
LMNA P02545 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL2913022 0.91 PDGFRB (0.55) PDGFRBHTTALDH1A1CYP1A2CYP3A4
SCHEMBL2914263 0.89 PDGFRB (0.49) PDGFRBHTTALDH1A1CYP1A2CYP3A4
SCHEMBL2918133 0.85 HTT (0.54) PDGFRBHTTALDH1A1CYP1A2CYP3A4
SCHEMBL7971440 0.79 PDGFRB (0.69) PDGFRBHTTENPP1
SCHEMBL27470404 0.78 PDGFRB (0.56) PDGFRBHTTALDH1A1CYP1A2CYP3A4
SCHEMBL2914101 0.74 ENPP1 (0.60) PDGFRBHTTALDH1A1CYP1A2CYP3A4
SCHEMBL2919286 0.74 PDGFRB (0.62) PDGFRBENPP1
Hydrochloric Acid SCHEMBL8825749 0.72 ALDH1A1 (0.43) PDGFRBHTTALDH1A1CYP1A2CYP3A4
SCHEMBL2923310 0.72 HTT (0.61) HTTALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL13875892 0.71 HTR2C (0.44) HTTALDH1A1KDM4EMAPTENPP1

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 PDGFRB 3/4885HTT 3199/4885ALDH1A1 3252/4885
US-20020068734-A1 Nitrogen-containing heterocyclic compounds PDGFRB, MKI67, PDGFRA PDGFRB 1/4885HTT 3297/4885ALDH1A1 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.