Sugi Predict

Sugi Predict / Compounds / SCHEMBL473708

SCHEMBL473708

SCHEMBL473708

Cc1ccc(S(=O)(=O)n2c3cnc(-c4cccnc4)cc3c3c(I)c(F)cnc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 3/20 0.40
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ PIM1 P11309 7/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ PIM3 Q86V86 2/20 0.37
▸ PIM2 Q9P1W9 2/20 0.37
▸ GBA1 P04062 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CKS1B P61024 1/20 0.36
▸ SKP2 Q13309 1/20 0.36
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ CYP2E1 P05181 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2B6 P20813 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ ALDH3A1 P30838 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
SCHEMBL2218828 0.91 PIM1 (0.41) CYP2A6CYP11B1CYP11B2PIM1CYP3A4
SCHEMBL2220367 0.89 CYP2A6 (0.40) CYP2A6CYP11B1CYP11B2PIM1CYP3A4
SCHEMBL2218482 0.87 CYP2A6 (0.38) CYP2A6CYP11B1CYP11B2PIM1CYP3A4
SCHEMBL2216914 0.87 CYP2A6 (0.38) CYP2A6CYP11B1CYP11B2PIM1CYP3A4
SCHEMBL1560920 0.86 CYP11B1 (0.38) CYP2A6CYP11B1CYP11B2PIM1CYP3A4
SCHEMBL473742 0.84 PIM1 (0.42) PIM1PIM3PIM2
SCHEMBL473783 0.84 CYP2A6 (0.42) CYP2A6CYP11B1CYP11B2PIM1CYP3A4
SCHEMBL473669 0.84 PTPN11 (0.39) CYP2A6CYP11B1CYP11B2PIM1CYP3A4
SCHEMBL11908027 0.82 SLC2A1 (0.41) CYP2A6CYP11B1CYP11B2SMN1; SMN2CKS1B
SCHEMBL473729 0.81 LMNA (0.36) CYP3A4SMN1; SMN2PTGDR2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120208809-A1 9H-PYRROLO[2,3-B: 5,4-C'] DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-08-16 — — US disclosed
EP-2411389-A2 9H-PYRROLO[2,3-B: 5,4-C']DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-01 — — EP disclosed
US-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2011-07-21 — — US disclosed
WO-2010109084-A2 9H-PYRROLO[2,3-B: 5,4-C'] DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-30 — — 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 (2 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-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME AOC3, CBR3, IDH3B CYP2A6 705/4885CYP11B1 332/4885CYP11B2 416/4885
US-20120208809-A1 9H-PYRROLO[2,3-B: 5,4-C'] DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF NPR3, CCNH, CBR3 CYP2A6 1471/4885CYP11B1 422/4885CYP11B2 376/4885

“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.