SCHEMBL5046548

SCHEMBL5046548

Nc1ccc(Cl)c(-c2cc3cnccc3[nH]c2=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.50
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
CDK5 Q00535 4/20 0.38
CDK5R1 Q15078 4/20 0.38
CHEK1 O14757 2/20 0.36
WEE1 P30291 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PARP1 P09874 2/20 0.35
TYMS P04818 1/20 0.35
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BRD4 O60885 1/20 0.34
BRDT Q58F21 1/20 0.34
CREBBP Q92793 1/20 0.34
CECR2 Q9BXF3 1/20 0.34
BRD9 Q9H8M2 1/20 0.34
BRD7 Q9NPI1 1/20 0.34

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
SCHEMBL928513 0.80 DAO (0.46) DAOHSD17B10PARP1SMN1; SMN2CYP3A4
SCHEMBL15558207 0.73 MAPT (0.46) KDM4EHPGDHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL14011400 0.73 MEN1 (0.47) KDM4E
SCHEMBL11034067 0.72 DAO (0.58) DAOPDE3BPDE3ACDK5CDK5R1
SCHEMBL5046537 0.71 DAO (0.47) DAOPDE3BPDE3ACDK5CDK5R1
SCHEMBL5048118 0.71 DAO (0.44) DAOPDE3BPDE3AHPGDPTGES
SCHEMBL10837829 0.71 DAO (0.60) DAOPDE3BPDE3ACDK5CDK5R1
SCHEMBL5065295 0.70 DAO (0.49) DAOPDE3BPDE3ACDK5CDK5R1
SCHEMBL5460540 0.70 PLA2G7 (0.46) DAOCDK5CDK5R1CHEK1PARP1
SCHEMBL5207806 0.69 KDR (0.74) DAOCDK5CDK5R1CHEK1KDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449582-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2008-11-11 US disclosed
EP-1673343-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-09-10 EP disclosed
EP-1673343-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-06-28 EP disclosed
US-20050187230-A1 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2005-08-25 US disclosed
WO-2005034869-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-04-21 WO 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 (1 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-20050187230-A1 Compounds and compositions as protein kinase inhibitors FYN, LCK, SRC DAO 4167/4885PDE3B 3211/4885PDE3A 3638/4885

“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.