SCHEMBL1833181

SCHEMBL1833181

Fc1cc[nH]c1-c1cccnc1F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 2/20 0.38
AXL P30530 1/20 0.38
MAPT P10636 6/20 0.38
CYP11B2 P19099 1/20 0.36
NAPRT Q6XQN6 1/20 0.36
NPC1 O15118 1/20 0.36
PSMD14 O00487 1/20 0.34
TDO2 P48775 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
KDM4E B2RXH2 2/20 0.33
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
F7 P08709 1/20 0.33
F3 P13726 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
MAPK14 Q16539 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
SCHEMBL22408613 0.73 CSNK1A1 (0.47) MAPTCYP11B2NAPRTNISCHKDM4E
SCHEMBL16432358 0.70 NAPRT (0.43) MAPTCYP11B2NAPRTNPC1MAOA
SCHEMBL29890083 0.70 NAPRT (0.43) MAPTCYP11B2NAPRTNPC1MAOA
SCHEMBL1835155 0.69 KMT2A (0.47) MAPTCYP11B2NAPRTNPC1TDO2
SCHEMBL14899993 0.69 GPR84 (0.36) MAPTCYP11B2NAPRTTDO2
SCHEMBL12417811 0.69 GPR84 (0.39) MAPTNAPRTNPC1TDO2KDM4E
SCHEMBL3639239 0.68 JAK2 (0.54) NUDT1MAPK14
SCHEMBL3639337 0.68 DYRK1A (0.44) NUDT1AXLMAPTCYP11B2MAOA
SCHEMBL5255739 0.68 MAPT (0.43) MAPTCYP11B2NAPRTNPC1MAOA
SCHEMBL13437106 0.67 NAPRT (0.42) NAPRTTDO2MAPK14

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 20 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-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-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-20140031393-A1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-30 US disclosed
US-8592597-B2 Pyrrole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-26 US disclosed
EP-2318390-B1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2013-05-01 EP disclosed
CN-102197033-A Pyrrole compounds TAKEDA PHARMACEUTICAL 2011-09-21 CN 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-20110172275-A1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-14 US disclosed
EP-2318390-A1 PYRROLE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2011-05-11 EP disclosed
WO-2010024451-A1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 WO 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
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 NUDT1 2466/4885AXL 1618/4885MAPT 2963/4885
US-20140031393-A1 PYRROLE COMPOUNDS PRLHR, C1R, C1S NUDT1 2466/4885AXL 1618/4885MAPT 2963/4885
US-20110172275-A1 PYRROLE COMPOUNDS PRLHR, C1R, C1S NUDT1 2466/4885AXL 1618/4885MAPT 2963/4885

“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.