SCHEMBL12417811

SCHEMBL12417811

OCc1c[nH]c(-c2cccnc2F)c1F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.39
MAPT P10636 4/20 0.36
DHODH Q02127 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MET P08581 1/20 0.35
TDO2 P48775 1/20 0.35
NAPRT Q6XQN6 1/20 0.34
CASP6 P55212 2/20 0.34
LRRK2 Q5S007 1/20 0.34
MTNR1A P48039 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
SCHEMBL2409903 0.85 DHODH (0.40) GPR84MAPTDHODHKDM4ENPC1
SCHEMBL14899993 0.84 GPR84 (0.36) GPR84MAPTMETTDO2NAPRT
SCHEMBL3477845 0.81 ALOX5AP (0.36) GPR84MAPTNPC1HTTRAB9A
SCHEMBL12417843 0.81 GPR84 (0.40) GPR84MAPTMETTDO2CASP6
SCHEMBL2194154 0.79 NAPRT (0.38) MAPTDHODHKDM4ELMNANAPRT
SCHEMBL2194158 0.77 MTNR1A (0.45) NPC1GAARAB9ASMN1; SMN2NAPRT
SCHEMBL4562592 0.76 MAP2K1 (0.34) GPR84MAPTNPC1LMNAHTT
SCHEMBL1830980 0.74 NAPRT (0.33) DHODHNAPRTMTNR1A
SCHEMBL1830977 0.74 SSTR4 (0.38)
SCHEMBL4566391 0.73 CHRM2 (0.32) NPC1HTTL3MBTL1NAPRTMTNR1A

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
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
EP-2318390-B1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2013-05-01 EP 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 3844/4885MAPT 2963/4885DHODH 1109/4885
US-20140031393-A1 PYRROLE COMPOUNDS PRLHR, C1R, C1S GPR84 3844/4885MAPT 2963/4885DHODH 1109/4885
US-20110172275-A1 PYRROLE COMPOUNDS PRLHR, C1R, C1S GPR84 3844/4885MAPT 2963/4885DHODH 1109/4885

“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.