SCHEMBL473783

SCHEMBL473783

Cc1ccc(S(=O)(=O)n2c3cnc(-c4cccnc4)cc3c3cc(F)cnc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.42
PIM1 P11309 6/20 0.40
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
CYP3A4 P08684 1/20 0.40
PIM3 Q86V86 2/20 0.39
PIM2 Q9P1W9 2/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.38
LMNA P02545 1/20 0.38
GBA1 P04062 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CKS1B P61024 1/20 0.37
SKP2 Q13309 1/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
LATS1 O95835 1/20 0.36
CYP2E1 P05181 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP2C19 P33261 1/20 0.36

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 0.87 NPC1 (0.43) CYP2A6PIM1CYP11B1CYP11B2CYP3A4
SCHEMBL2218828 0.85 PIM1 (0.41) CYP2A6PIM1CYP11B1CYP11B2CYP3A4
SCHEMBL2220367 0.84 CYP2A6 (0.40) CYP2A6PIM1CYP11B1CYP11B2CYP3A4
SCHEMBL473708 0.84 CYP2A6 (0.40) CYP2A6PIM1CYP11B1CYP11B2CYP3A4
SCHEMBL473779 0.83 PIM1 (0.41) PIM1CYP11B1CYP11B2PIM3PIM2
SCHEMBL473666 0.83 CYP2A6 (0.37) CYP2A6PIM1CYP11B1CYP11B2CYP3A4
SCHEMBL2218482 0.82 CYP2A6 (0.38) CYP2A6PIM1CYP11B1CYP11B2CYP3A4
SCHEMBL1560920 0.81 CYP11B1 (0.38) CYP2A6PIM1CYP11B1CYP11B2CYP3A4
SCHEMBL473682 0.80 LMNA (0.43) CYP3A4PTGDR2LMNACYP2C9CYP2C19
SCHEMBL1561185 0.79 LMNA (0.42) CYP3A4PTGDR2LMNACYP2C9CYP2C19

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 7 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
US-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2011-07-21 US 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
WO-2009150381-A2 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2009-12-17 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 705/4885PIM1 2969/4885CYP11B1 332/4885
US-20120208809-A1 9H-PYRROLO[2,3-B: 5,4-C'] DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF NPR3, CCNH, CBR3 CYP2A6 1471/4885PIM1 3366/4885CYP11B1 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.