SCHEMBL14737136

SCHEMBL14737136

Cn1nc2c(c1I)CCCC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.57
GAA P10253 2/20 0.57
CYP1A2 P05177 1/20 0.57
MAPT P10636 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 2/20 0.33
ACHE P22303 2/20 0.32
HPGD P15428 1/20 0.32
PARP1 P09874 1/20 0.32
PDPK1 O15530 1/20 0.32
MAPK1 P28482 1/20 0.31
BPTF Q12830 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
NPC1 O15118 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
SCHEMBL14738139 0.98 POLB (0.55) POLBGAACYP1A2MAPTTDP1
SCHEMBL14738537 0.96 POLB (0.52) POLBGAACYP1A2MAPTTDP1
SCHEMBL13684197 0.76 POLB (0.59) POLBGAACYP1A2MAPTTDP1
SCHEMBL16920677 0.74 POLB (0.57) POLBGAACYP1A2MAPTTDP1
SCHEMBL3612647 0.74 POLB (0.57) POLBGAACYP1A2MAPTTDP1
SCHEMBL15694019 0.74 POLB (0.57) POLBGAACYP1A2MAPTTDP1
SCHEMBL16739580 0.74 POLB (0.62) POLBGAACYP1A2MAPTTDP1
SCHEMBL13693061 0.74 POLB (0.57) POLBGAACYP1A2MAPTTDP1
SCHEMBL5067152 0.74 POLB (0.57) POLBGAACYP1A2MAPTTDP1
Tetrydamine SCHEMBL43249 0.72 GAA (1.00) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10797249-B2 Organometallic compound, organic light-emitting device including the organometallic compound, and diagnostic composition including the organometallic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-10-06 US disclosed
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 (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-10797249-B2 Organometallic compound, organic light-emitting device including the organometallic compound, and diagnostic composition including the organometallic compound ORC3, LEF1, OCIAD1 POLB 2038/4885GAA 3225/4885CYP1A2 654/4885
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.