SCHEMBL473790

SCHEMBL473790

COCCOc1cnc2c(c1)c1cc(Cl)ncc1n2S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
PSEN1 P49768 2/20 0.35
PSEN2 P49810 2/20 0.35
APH1B Q8WW43 2/20 0.35
NCSTN Q92542 2/20 0.35
APH1A Q96BI3 2/20 0.35
PSENEN Q9NZ42 2/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 2/20 0.33
HTT P42858 2/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
HTR6 P50406 4/20 0.33
MMP1 P03956 2/20 0.33
MMP2 P08253 2/20 0.33
MMP3 P08254 2/20 0.33
MMP13 P45452 2/20 0.33

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
SCHEMBL473666 0.83 CYP2A6 (0.37) MAPTPSEN1PSEN2APH1BNCSTN
SCHEMBL473661 0.82 MAPT (0.35) MAPTPSEN1PSEN2APH1BNCSTN
SCHEMBL473682 0.80 LMNA (0.43) PTGDR2LMNAALDH1A1HTTHTR6
SCHEMBL473729 0.71 LMNA (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2215129 0.71 NPC1 (0.43) PTGDR2SMN1; SMN2HTR6CYP3A4
SCHEMBL1561185 0.71 LMNA (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13572866 0.65 TLR7 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1683455 0.64 KDM4E (0.44) MAPTLMNAALDH1A1SMN1; SMN2TSHR
SCHEMBL20535992 0.63 ABL1 (0.45) MAPTPTGDR2LMNAALDH1A1TSHR
SCHEMBL473783 0.63 CYP2A6 (0.42) PTGDR2LMNASMN1; SMN2CYP3A4

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 3 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
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 MAPT 4882/4885PSEN1 4732/4885PSEN2 4669/4885

“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.