SCHEMBL2409583

SCHEMBL2409583

Cc1cccc(-c2nc(I)c3cc[nH]c3n2)n1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 17/20 0.53
TGFBR2 P37173 4/20 0.53
CYP3A4 P08684 1/20 0.47
CYP2C8 P10632 1/20 0.47
CCR1 P32246 1/20 0.43
CCR8 P51685 1/20 0.43
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
MAPK14 Q16539 1/20 0.38
METAP2 P50579 1/20 0.36

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
SCHEMBL2414768 0.82 TGFBR1 (0.53) TGFBR1TGFBR2CYP3A4CYP2C8CCR1
SCHEMBL3724250 0.78 TGFBR1 (0.53) TGFBR1TGFBR2CCR1CCR8METAP2
SCHEMBL4157010 0.74 TGFBR1 (0.56) TGFBR1TGFBR2CYP3A4CYP2C8
SCHEMBL27808408 0.73 TGFBR1 (0.43) TGFBR1TGFBR2CYP3A4CYP2C8CCR1
SCHEMBL4150343 0.73 TGFBR1 (0.58) TGFBR1TGFBR2CYP3A4CYP2C8MAPK14
SCHEMBL3723221 0.73 TGFBR1 (0.50) TGFBR1TGFBR2CYP3A4CYP2C8
SCHEMBL3722830 0.73 TGFBR1 (0.50) TGFBR1TGFBR2CYP3A4CYP2C8MAPK14
SCHEMBL4165337 0.72 TGFBR1 (0.52) TGFBR1TGFBR2CYP3A4CYP2C8
SCHEMBL12040846 0.72 ADORA2A (0.42) TGFBR1CYP3A4CYP2C8ADORA2AADORA1
SCHEMBL3722185 0.72 TGFBR1 (0.48) TGFBR1TGFBR2CYP3A4CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2539338-A1 NOVEL MICROBICIDES Syngenta Participations AG (CH) 2013-01-02 EP claimed
US-20120316184-A1 NOVEL MICROBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-12-13 US claimed
CN-102770433-A Novel microbicides SYNGENTA PARTICIPATIONS A G 2012-11-07 CN claimed
WO-2011104183-A1 NOVEL MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2011-09-01 WO claimed
EP-2539338-A1 NOVEL MICROBICIDES Syngenta Participations AG (CH) 2013-01-02 EP disclosed
US-20120316184-A1 NOVEL MICROBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-12-13 US disclosed
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US disclosed
CN-102770433-A Novel microbicides SYNGENTA PARTICIPATIONS A G 2012-11-07 CN disclosed
WO-2011104183-A1 NOVEL MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2011-09-01 WO disclosed
CN-101970435-A Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2011-02-09 CN disclosed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 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-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines ALK, ACVR1, PTPN4 TGFBR1 128/4885TGFBR2 443/4885CYP3A4 111/4885
US-20120316184-A1 NOVEL MICROBICIDES NOX1, MSR1, FPR1 TGFBR1 1674/4885TGFBR2 3090/4885CYP3A4 460/4885

“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.