SCHEMBL2920640

SCHEMBL2920640

COc1cc2cnc(N3CCNCC3)nc2c(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 1/20 0.47
TGFBR1 P36897 9/20 0.47
CHRNB2 P17787 2/20 0.45
CHRNA4 P43681 2/20 0.45
ACVR1 Q04771 8/20 0.44
ACVR1B P36896 4/20 0.44
KDM4E B2RXH2 1/20 0.44
APAF1 O14727 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
UBE2N P61088 1/20 0.44
KCNH2 Q12809 2/20 0.44
BMPR1A P36894 2/20 0.43
ACVRL1 P37023 2/20 0.43
RIPK2 O43353 1/20 0.43
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
BMPR1B O00238 1/20 0.42

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 0.80 ALDH1A1 (0.60) BCL6CHRNB2CHRNA4KDM4EAPAF1
SCHEMBL10992549 0.77 KDM4E (0.67) KDM4EAPAF1ALDH1A1POLBMAPT
Hydrochloric Acid SCHEMBL11256287 0.76 KDM4E (0.66) KDM4EAPAF1ALDH1A1POLBMAPT
Water SCHEMBL10955227 0.76 KDM4E (0.66) KDM4EAPAF1ALDH1A1POLBMAPT
Water SCHEMBL10955232 0.76 KDM4E (0.66) KDM4EAPAF1ALDH1A1POLBMAPT
SCHEMBL2921147 0.75 ALDH1A1 (0.55) BCL6CHRNB2CHRNA4KDM4EAPAF1
SCHEMBL21564400 0.75 ALDH1A1 (0.53) BCL6CHRNB2CHRNA4KDM4EAPAF1
SCHEMBL10757081 0.73 KDM4E (0.44) BCL6TGFBR1CHRNB2CHRNA4ACVR1
SCHEMBL16689308 0.72 KDM4E (0.63) KDM4EAPAF1ALDH1A1POLBMAPT
SCHEMBL2920637 0.71 PDE5A (0.52) KDM4EALDH1A1MAPTHPGD

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 BCL6 229/4885TGFBR1 422/4885CHRNB2 2463/4885
US-20020068734-A1 Nitrogen-containing heterocyclic compounds PDGFRB, MKI67, PDGFRA BCL6 180/4885TGFBR1 578/4885CHRNB2 2852/4885

“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.