SCHEMBL6435944

SCHEMBL6435944

COc1cncc2[nH]cc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.69
CYP3A4 P08684 3/20 0.64
CYP2C19 P33261 5/20 0.60
CYP2D6 P10635 4/20 0.60
CYP1A2 P05177 2/20 0.60
CYP2C8 P10632 1/20 0.60
CYP2B6 P20813 1/20 0.60
KCNH2 Q12809 1/20 0.60
TSHR P16473 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
CA12 O43570 1/20 0.41

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
SCHEMBL6432734 0.87 CYP2D6 (0.70) CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2
SCHEMBL2688411 0.82 CYP2C9 (1.00) CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2
SCHEMBL17861491 0.82 CYP2C9 (0.82) CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2
SCHEMBL30966670 0.82 CYP2C9 (1.00) CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2
SCHEMBL1763506 0.81 CYP2C9 (0.81) CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2
SCHEMBL2629237 0.81 CYP2C9 (0.81) CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2
SCHEMBL12456007 0.81 CYP2C9 (0.81) CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2
SCHEMBL3846150 0.81 CYP2C9 (0.74) CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2
SCHEMBL2629236 0.81 CYP2C9 (0.79) CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2
SCHEMBL25112741 0.80 CYP2C9 (0.47) CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1257276-B1 ANTIVIRAL AZAINDOLE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2005-12-28 EP disclosed
US-6900323-B2 Antiviral azaindole derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2005-05-31 US disclosed
EP-1257276-A4 ANTIVIRAL AZAINDOLE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2004-10-27 EP disclosed
US-20040023982-A1 Antiviral azaindole derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2004-02-05 US disclosed
US-6632819-B1 HIV and AIDS BRISTOL-MYERS SQUIBB COMPANY 2003-10-14 US disclosed
US-20030181463-A1 Antiviral azaindole derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2003-09-25 US disclosed
EP-1257276-A1 ANTIVIRAL AZAINDOLE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-11-20 EP disclosed
US-6476034-B2 AIDS THERAPY BRISTOL-MYERS SQUIBB COMPANY 2002-11-05 US disclosed
US-20020119982-A1 Antiviral azaindole derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2002-08-29 US disclosed
US-20020061892-A1 Antiviral azaindole derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2002-05-23 US disclosed
WO-2001062255-A1 ANTIVIRAL AZAINDOLE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2001-08-30 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 (4 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-20020119982-A1 Antiviral azaindole derivatives ZC3HAV1, MAVS, AZI2 CYP2C9 3477/4885CYP3A4 491/4885CYP2C19 3101/4885
US-20020061892-A1 Antiviral azaindole derivatives ZC3HAV1, MAVS, AZI2 CYP2C9 3477/4885CYP3A4 491/4885CYP2C19 3101/4885
US-20040023982-A1 Antiviral azaindole derivatives ZC3HAV1, MAVS, EIF2AK2 CYP2C9 3466/4885CYP3A4 589/4885CYP2C19 3009/4885
US-20030181463-A1 Antiviral azaindole derivatives ZC3HAV1, MAVS, AZI2 CYP2C9 3477/4885CYP3A4 491/4885CYP2C19 3101/4885

“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.