SCHEMBL6441380

SCHEMBL6441380

NCc1nc(-c2ccc(F)c3c(C(=O)C(=O)N4CCN(C(=O)c5ccccc5)CC4)c[nH]c23)no1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.47
CYP3A4 P08684 3/20 0.44
CYP2D6 P10635 3/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C8 P10632 1/20 0.42
CYP2B6 P20813 1/20 0.42
KCNH2 Q12809 1/20 0.42
MGLL Q99685 4/20 0.36
HDAC4 P56524 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALOX15 P16050 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
DPP4 P27487 1/20 0.34
PARP1 P09874 1/20 0.34
MAPK1 P28482 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
SCHEMBL6445818 0.93 CYP2C9 (0.47) CYP2C9CYP3A4CYP2D6CYP2C19CYP1A2
SCHEMBL6445942 0.92 CYP2C9 (0.46) CYP2C9CYP3A4CYP2D6CYP2C19CYP1A2
SCHEMBL6442458 0.92 CYP2C9 (0.46) CYP2C9CYP3A4CYP2D6CYP2C19CYP1A2
SCHEMBL6441228 0.90 CYP2C9 (0.46) CYP2C9CYP3A4CYP2D6CYP2C19CYP1A2
SCHEMBL6443080 0.90 CYP2C9 (0.46) CYP2C9CYP3A4CYP2D6CYP2C19CYP1A2
SCHEMBL6446764 0.89 CYP2C9 (0.45) CYP2C9CYP3A4CYP2D6CYP2C19CYP1A2
SCHEMBL6442227 0.89 CYP2C9 (0.49) CYP2C9CYP3A4CYP2D6CYP2C19CYP1A2
SCHEMBL6442373 0.89 CYP2C9 (0.49) CYP2C9CYP3A4CYP2D6CYP2C19CYP1A2
SCHEMBL6445443 0.88 CYP2C9 (0.50) CYP2C9CYP3A4CYP2D6CYP2C19CYP1A2
SCHEMBL6443777 0.87 CYP2C9 (0.49) CYP2C9CYP3A4CYP2D6CYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1299382-B1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED INDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2005-09-21 EP claimed
EP-1299382-A4 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED INDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2004-02-11 EP claimed
US-6573262-B2 Compounds for treating mammals infected with HIV virus BRISTOL-MYERS SQIBB COMPANY 2003-06-03 US claimed
US-20030069245-A1 Composition and antiviral activity of substituted indoleoxoacetic piperazine derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2003-04-10 US claimed
EP-1299382-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED INDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-04-09 EP claimed
WO-2002004440-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED INDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-01-17 WO claimed

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-20030069245-A1 Composition and antiviral activity of substituted indoleoxoacetic piperazine derivatives IDO1, IDO2, ITPA CYP2C9 2370/4885CYP3A4 469/4885CYP2D6 831/4885

“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.