SCHEMBL14738537

SCHEMBL14738537

Cn1nc2c(c1I)CCC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
GAA P10253 2/20 0.52
CYP1A2 P05177 1/20 0.52
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PARP1 P09874 2/20 0.33
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 2/20 0.32
ACHE P22303 1/20 0.31
MAPK1 P28482 1/20 0.31
BPTF Q12830 1/20 0.31
LMNA P02545 1/20 0.31
NR2F2 P24468 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
DRD4 P21917 1/20 0.30

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
SCHEMBL14737136 0.96 POLB (0.57) POLBGAACYP1A2MAPTTDP1
SCHEMBL14738139 0.94 POLB (0.55) POLBGAACYP1A2MAPTTDP1
SCHEMBL13160725 0.76 POLB (0.53) POLBGAACYP1A2MAPTTDP1
SCHEMBL12335143 0.74 POLB (0.52) POLBGAACYP1A2MAPTTDP1
SCHEMBL3209715 0.74 GAA (0.57) POLBGAACYP1A2MAPTTDP1
SCHEMBL3610756 0.74 POLB (0.52) POLBGAACYP1A2MAPTTDP1
SCHEMBL13684197 0.71 POLB (0.59) POLBGAACYP1A2MAPTTDP1
SCHEMBL14737681 0.71 PDK1 (0.30) POLBGAACYP1A2
SCHEMBL22970095 0.71 POLB (0.48) POLBGAACYP1A2MAPTTDP1
SCHEMBL3612647 0.70 POLB (0.57) POLBGAACYP1A2MAPTTDP1

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
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP disclosed
EP-2763990-A1 PYRROLOPYRAZINE KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-08-13 EP disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US disclosed
WO-2013030138-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 WO disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 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-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK1 POLB 2371/4885GAA 2745/4885CYP1A2 2215/4885

“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.