SCHEMBL3725501

SCHEMBL3725501

O=S(=O)(c1ccccc1)n1ccc2c(Cl)c(-c3ccccc3)cnc21

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.52
CYP2C19 P33261 1/20 0.50
PKM P14618 1/20 0.44
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
MET P08581 1/20 0.41
PIK3C3 Q8NEB9 2/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
BRD4 O60885 1/20 0.38

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
SCHEMBL3723956 0.89 HTR6 (0.44) HTR6CYP2C19PKMDRD2HTR2A
SCHEMBL3721496 0.86 HTR6 (0.45) HTR6CYP2C19DRD2HTR2AMET
SCHEMBL19654939 0.84 CYP2C19 (0.49) HTR6CYP2C19PKMDRD2HTR2A
SCHEMBL12425664 0.83 CYP2C19 (0.48) HTR6CYP2C19PKMDRD2HTR2A
SCHEMBL30134883 0.83 CYP2C19 (0.48) HTR6CYP2C19PKMDRD2HTR2A
SCHEMBL3723254 0.83 CYP2C19 (0.48) HTR6CYP2C19PKMDRD2HTR2A
SCHEMBL1469143 0.83 CYP2C19 (0.48) HTR6CYP2C19PKMDRD2HTR2A
SCHEMBL16041786 0.83 CYP2C19 (0.48) HTR6CYP2C19PKMDRD2HTR2A
SCHEMBL27821419 0.82 HTR6 (0.52) HTR6CYP2C19PKMDRD2HTR2A
SCHEMBL1134990 0.81 CYP2C19 (0.46) HTR6CYP2C19PKMDRD2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841304-B2 Pyrrolopyridines as kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-09-23 US disclosed
US-20140221370-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-08-07 US disclosed
CN-101959887-B Pyrrolopyridines as kinase inhibitors ARRAY BIOPHARMA INC 2013-07-31 CN disclosed
EP-2242755-B1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2012-09-12 EP disclosed
CN-101959887-A Pyrrolopyridine as kinase inhibitor ARRAY BIOPHARMA INC 2011-01-26 CN disclosed
US-20100324041-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-12-23 US disclosed
EP-2242755-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS Array Biopharma, Inc. (US) 2010-10-27 EP disclosed
WO-2009089352-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-07-16 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-20140221370-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, BUB1B HTR6 4510/4885CYP2C19 3656/4885PKM 322/4885
US-20100324041-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, BUB1B HTR6 4472/4885CYP2C19 3557/4885PKM 311/4885

“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.