SCHEMBL969116

SCHEMBL969116

O=S(=O)(c1ccccc1)n1cc(I)c2nc(Cl)cnc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.45
CYP2C19 P33261 1/20 0.41
MET P08581 1/20 0.38
ALDH3A1 P30838 1/20 0.37
HTR6 P50406 6/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 2/20 0.36
HTT P42858 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
PKM P14618 1/20 0.36
SLC40A1 Q9NP59 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 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
SCHEMBL1605699 0.87 L3MBTL1 (0.42) BRD4ALDH3A1ALDH1A1HPGDMEN1
SCHEMBL2276043 0.84 BRD4 (0.45) BRD4CYP2C19METALDH3A1HTR6
SCHEMBL934449 0.84 BRD4 (0.43) BRD4CYP2C19METHTR6ALDH1A1
SCHEMBL13306694 0.79 CYP2C19 (0.49) BRD4CYP2C19METALDH3A1HTR6
SCHEMBL935491 0.77 MEN1 (0.45) BRD4CYP2C19METHTR6ALDH1A1
SCHEMBL24583097 0.77 BRD4 (0.45) BRD4CYP2C19METALDH3A1HTR6
SCHEMBL25158089 0.76 BRD4 (0.47) BRD4CYP2C19METALDH3A1HTR6
SCHEMBL1266871 0.76 BRD4 (0.58) BRD4CYP2C19METALDH3A1HTR6
SCHEMBL20839336 0.76 KDM4E (0.32) TSHR
SCHEMBL16977988 0.74 BRD4 (0.51) BRD4CYP2C19METALDH3A1HTR6

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
EP-2454262-B1 PYRROLOPYRAZINE INHIBITORS OF KINASES ABBOTT LAB (US) 2014-05-14 EP disclosed
US-8383624-B2 Pyrrolopyrazine inhibitors of kinases ABBOTT LABORATORIES (US) 2013-02-26 US disclosed
CN-102471345-A Pyrrolopyrazine inhibitors of kinases ABBOTT LAB 2012-05-23 CN disclosed
US-20110015172-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 US 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-20110015172-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES CDC7, CDK7, CDK17 BRD4 1408/4885CYP2C19 3532/4885MET 2469/4885

“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.