Sugi Predict

Sugi Predict / Compounds / SCHEMBL6445809

SCHEMBL6445809

SCHEMBL6445809

Cn1nnc(-c2ccc(F)c3c(C(=O)C(=O)N4CCN(C(=O)c5ccc(Br)o5)CC4)c[nH]c23)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ PARP1 P09874 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CYP3A4 P08684 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C8 P10632 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2B6 P20813 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ NPSR1 Q6W5P4 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
SCHEMBL6444252 0.92 PARP1 (0.36) PARP1CYP2C9MEN1KMT2AALDH1A1
SCHEMBL6442414 0.86 RAB9A (0.51) TSHRSMN1; SMN2CYP2C9MEN1KMT2A
SCHEMBL6442692 0.85 TSHR (0.40) TSHRSMN1; SMN2PARP1CYP2C9MEN1
SCHEMBL6441276 0.85 CYP2C9 (0.51) CYP2C9RAB9ACYP3A4CYP1A2CYP2C8
SCHEMBL6441663 0.81 GAA (0.39) CYP2C9MEN1KMT2AALDH1A1RAB9A
SCHEMBL6446655 0.77 PARP1 (0.36) TSHRSMN1; SMN2PARP1CYP2C9MEN1
SCHEMBL2629081 0.75 TSHR (0.40) TSHRSMN1; SMN2PARP1CYP2C9MEN1
SCHEMBL6445395 0.75 CYP2C9 (0.47) TSHRSMN1; SMN2CYP2C9MEN1KMT2A
SCHEMBL6441584 0.75 CYP2C19 (0.56) PARP1CYP2C9CYP3A4CYP1A2CYP2C8
SCHEMBL6441585 0.75 CYP2C19 (0.56) PARP1CYP2C9CYP3A4CYP1A2CYP2C8

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
WO-2002004440-A9 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED INDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2005-11-03 — — WO claimed
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-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 TSHR 4644/4885SMN1; SMN2 4831/4885PARP1 734/4885

“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.