SCHEMBL4049896

SCHEMBL4049896

NC(=O)c1c(NCCNC(=O)O)ccc(Cl)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.39
LIN28A Q9H9Z2 1/20 0.37
CXCR1 P25024 1/20 0.36
CD38 P28907 4/20 0.36
KCNH2 Q12809 1/20 0.36
CLCN2 P51788 1/20 0.35
RPS6KB1 P23443 4/20 0.35
CDC7 O00311 3/20 0.35
PLK4 O00444 3/20 0.35
DYRK3 O43781 3/20 0.35
ROCK2 O75116 3/20 0.35
PRKD3 O94806 3/20 0.35
MAP4K4 O95819 3/20 0.35
INSR P06213 3/20 0.35
CDK1 P06493 3/20 0.35
PIM1 P11309 3/20 0.35
FGFR1 P11362 3/20 0.35
PRKACA P17612 3/20 0.35
CDK2 P24941 3/20 0.35
KDR P35968 3/20 0.35

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
SCHEMBL5288536 0.73 DRD2 (0.32) RPS6KB1CDC7PLK4DYRK3ROCK2
SCHEMBL25409666 0.71 MEN1 (0.50) TDP1KDM4E
SCHEMBL8730869 0.71 CDC7 (0.37) CXCR2LIN28ACXCR1CD38KCNH2
SCHEMBL16585537 0.70 HTT (0.49) KDM4EALDH1A1LMNA
SCHEMBL8735208 0.69 CDC7 (0.38) CXCR2LIN28ACXCR1CD38KCNH2
SCHEMBL11889090 0.68 CA12 (0.51) GSK3BCYP3A4TDP1KDM4EALDH1A1
SCHEMBL8735080 0.68 CDC7 (0.37) CXCR2LIN28ACXCR1CLCN2RPS6KB1
SCHEMBL8857062 0.66 ALDH1A1 (0.50) CXCR2LIN28ACXCR1CLCN2RPS6KB1
SCHEMBL3650105 0.65 TSHR (0.48) CLCN2CSNK2A1CYP3A4TDP1KDM4E
SCHEMBL2973683 0.65 HDAC3 (0.47) KDM4EALDH1A1LMNA

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
EP-1846410-B1 DIHYDROQUINAZOLINONES AS 5HT MODULATORS BRISTOL MYERS SQUIBB CO (US) 2009-01-21 EP disclosed
EP-1846410-A2 DIHYDROQUINAZOLINONES AS 5HT MODULATORS Bristol-Myers Squibb Company (US) 2007-10-24 EP disclosed
US-7238702-B2 Dihydroquinazolinones as 5HT modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-03 US disclosed
WO-2006086464-A2 DIHYDROQUINAZOLINONES AS 5HT MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-08-17 WO disclosed
US-20060178386-A1 Dihydroquinazolinones as 5HT modulators BRISTOL-MYERS SQUIBB COMPANY 2006-08-10 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 (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-20060178386-A1 Dihydroquinazolinones as 5HT modulators HTR3B, HTR2C, HTR2B CXCR2 2040/4885LIN28A 3750/4885CXCR1 1312/4885

“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.