SCHEMBL2921147

SCHEMBL2921147

COc1cc2cnc(N3CCCNCC3)nc2cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 2/20 0.55
APAF1 O14727 1/20 0.55
POLB P06746 1/20 0.55
MAPT P10636 1/20 0.55
HPGD P15428 1/20 0.55
UBE2N P61088 1/20 0.55
CHRNB2 P17787 7/20 0.52
CHRNA4 P43681 7/20 0.52
ROCK2 O75116 1/20 0.51
ROCK1 Q13464 1/20 0.51
NCF1 P14598 1/20 0.47
ENPP1 P22413 1/20 0.45
KMT5A Q9NQR1 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
BCL6 P41182 1/20 0.44
CASP1 P29466 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CASP7 P55210 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 0.95 ALDH1A1 (0.60) ALDH1A1KDM4EAPAF1POLBMAPT
SCHEMBL2920903 0.82 CHRNB2 (0.46) ALDH1A1KDM4EAPAF1POLBMAPT
SCHEMBL6705495 0.81 ALDH1A1 (0.51) ALDH1A1KDM4EAPAF1POLBMAPT
SCHEMBL1132495 0.80 ALDH1A1 (0.43) ALDH1A1KDM4EAPAF1POLBMAPT
SCHEMBL1132491 0.79 ALDH1A1 (0.43) ALDH1A1KDM4EAPAF1POLBMAPT
SCHEMBL7796182 0.78 KDM4E (0.90) ALDH1A1KDM4EAPAF1POLBMAPT
Hydrochloric Acid SCHEMBL11475168 0.77 POLB (0.88) ALDH1A1KDM4EAPAF1POLBMAPT
Hydrochloric Acid SCHEMBL11475161 0.76 KDM4E (0.41) ALDH1A1KDM4EAPAF1POLBMAPT
SCHEMBL2920640 0.75 BCL6 (0.47) ALDH1A1KDM4EAPAF1POLBMAPT
SCHEMBL20610675 0.74 ALDH1A1 (0.69) ALDH1A1KDM4EAPAF1POLBMAPT

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 ALDH1A1 3252/4885KDM4E 2801/4885APAF1 3828/4885
US-20020068734-A1 Nitrogen-containing heterocyclic compounds PDGFRB, MKI67, PDGFRA ALDH1A1 3314/4885KDM4E 2799/4885APAF1 3874/4885

“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.