Sugi Predict

Sugi Predict / Compounds / SCHEMBL473666

SCHEMBL473666

SCHEMBL473666

COCCOc1cnc2c(c1)c1cc(-c3cccnc3)ncc1n2S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 2/20 0.37
▸ PTGDR2 Q9Y5Y4 2/20 0.36
▸ CYP11B1 P15538 2/20 0.36
▸ CYP11B2 P19099 2/20 0.36
▸ PDPK1 O15530 1/20 0.36
▸ PIM1 P11309 3/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ PIM3 Q86V86 2/20 0.35
▸ PIM2 Q9P1W9 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ GBA1 P04062 1/20 0.35
▸ MAPK9 P45984 2/20 0.34
▸ MAPKAPK2 P49137 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PSEN1 P49768 1/20 0.34
▸ PSEN2 P49810 1/20 0.34
▸ APH1B Q8WW43 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
SCHEMBL2215129 0.90 NPC1 (0.43) CYP2A6PTGDR2CYP11B1CYP11B2PIM1
SCHEMBL473790 0.83 MAPT (0.37) PTGDR2CYP3A4LMNASMN1; SMN2PSEN1
SCHEMBL473783 0.83 CYP2A6 (0.42) CYP2A6PTGDR2CYP11B1CYP11B2PIM1
SCHEMBL2216914 0.77 CYP2A6 (0.38) CYP2A6CYP11B1CYP11B2PDPK1PIM1
SCHEMBL2218828 0.77 PIM1 (0.41) CYP2A6PTGDR2CYP11B1CYP11B2PIM1
SCHEMBL473708 0.75 CYP2A6 (0.40) CYP2A6PTGDR2CYP11B1CYP11B2PIM1
SCHEMBL2220367 0.75 CYP2A6 (0.40) CYP2A6PTGDR2CYP11B1CYP11B2PIM1
SCHEMBL2218482 0.74 CYP2A6 (0.38) CYP2A6PTGDR2CYP11B1CYP11B2PIM1
SCHEMBL1560920 0.72 CYP11B1 (0.38) CYP2A6CYP11B1CYP11B2PIM1CYP3A4
SCHEMBL11908027 0.72 SLC2A1 (0.41) CYP2A6PTGDR2CYP11B1CYP11B2LMNA

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
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
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
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
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 (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-20120208809-A1 9H-PYRROLO[2,3-B: 5,4-C'] DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF NPR3, CCNH, CBR3 CYP2A6 1471/4885PTGDR2 720/4885CYP11B1 422/4885

“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.