SCHEMBL12417843

SCHEMBL12417843

CNCc1c[nH]c(-c2cccnc2F)c1F

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.40
CYP3A4 P08684 2/20 0.36
MET P08581 1/20 0.35
CYP2C19 P33261 1/20 0.35
CASP6 P55212 8/20 0.34
MAPT P10636 3/20 0.34
TDO2 P48775 1/20 0.33
CYP11B2 P19099 1/20 0.33
CYP2A6 P11509 1/20 0.33
FGFR1 P11362 1/20 0.32
FGFR4 P22455 1/20 0.32
MCL1 Q07820 1/20 0.32

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
SCHEMBL14899993 0.84 GPR84 (0.36) GPR84CYP3A4METMAPTTDO2
SCHEMBL12417811 0.81 GPR84 (0.39) GPR84METCASP6MAPTTDO2
SCHEMBL3477845 0.80 ALOX5AP (0.36) GPR84CYP3A4METCASP6MAPT
SCHEMBL4562592 0.77 MAP2K1 (0.34) GPR84CYP3A4CYP2C19MAPT
SCHEMBL2194154 0.76 NAPRT (0.38) MAPT
SCHEMBL16619259 0.74 MCL1 (0.44) GPR84CYP3A4CYP2A6MCL1
SCHEMBL2194158 0.74 MTNR1A (0.45)
SCHEMBL2409903 0.72 DHODH (0.40) GPR84CYP3A4METMAPTTDO2
SCHEMBL1830978 0.71 DYRK1A (0.35)
SCHEMBL2444065 0.71 IDO1 (0.55) CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993598-B2 Pyrrole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-03-31 US disclosed
US-8993598-B2 Pyrrole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-03-31 US disclosed
US-8969387-B2 Pyrrole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-03-03 US disclosed
US-8969387-B2 Pyrrole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-03-03 US disclosed
US-20140031393-A1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-30 US disclosed
US-20140031393-A1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-30 US disclosed
US-20110172275-A1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-14 US disclosed
US-20110172275-A1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-14 US disclosed
US-20100056577-A1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 US disclosed
US-20100056577-A1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 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 (3 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-20100056577-A1 PYRROLE COMPOUNDS PRLHR, C1R, C1S GPR84 3844/4885CYP3A4 138/4885MET 2062/4885
US-20140031393-A1 PYRROLE COMPOUNDS PRLHR, C1R, C1S GPR84 3844/4885CYP3A4 138/4885MET 2062/4885
US-20110172275-A1 PYRROLE COMPOUNDS PRLHR, C1R, C1S GPR84 3844/4885CYP3A4 138/4885MET 2062/4885

“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.