SCHEMBL2409903

SCHEMBL2409903

Cc1c(CO)c[nH]c1-c1cccnc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.40
MTNR1A P48039 1/20 0.37
GPR84 Q9NQS5 1/20 0.37
TDO2 P48775 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
CYP1A2 P05177 1/20 0.34
CHRM4 P08173 1/20 0.34
CYP2D6 P10635 1/20 0.34
NPC1 O15118 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 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
SCHEMBL12417811 0.85 GPR84 (0.39) DHODHMTNR1AGPR84TDO2NPC1
SCHEMBL1155556 0.80 PDCD1 (0.41) DHODHGPR84PDCD1CD274L3MBTL1
SCHEMBL14899993 0.76 GPR84 (0.36) MTNR1AGPR84TDO2METCYP3A4
SCHEMBL2409910 0.73 KMT2A (0.45) DHODHTDO2MEN1KMT2ANPC1
SCHEMBL2407861 0.73 JAK3 (0.49) MEN1KMT2ANPC1KDM4ELMNA
SCHEMBL12417843 0.72 GPR84 (0.40) GPR84TDO2METCYP3A4MAPT
SCHEMBL3477845 0.72 ALOX5AP (0.36) GPR84TDO2NPC1HTTRAB9A
SCHEMBL2194154 0.71 NAPRT (0.38) DHODHMTNR1AKMT2AKDM4ELMNA
SCHEMBL13437106 0.71 NAPRT (0.42) DHODHTDO2KMT2AL3MBTL1MKNK1
SCHEMBL2194158 0.70 MTNR1A (0.45) MTNR1AMEN1KMT2ANPC1GAA

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
EP-2114917-B1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2016-08-10 EP disclosed
US-8933105-B2 Pyrrole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-13 US disclosed
EP-2364979-A1 Pyrrole compounds Takeda Pharmaceutical Company Limited (JP) 2011-09-14 EP disclosed
EP-2114917-A2 PYRROLE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2009-11-11 EP disclosed
US-20080262042-A1 1-[5-(2-Fluoropyridin-3-yl)-1-(phenylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine or a salt thereof; acid secretion inhibitor; potassium-competitive acid blocker TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-23 US disclosed
WO-2008108380-A2 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-12 WO 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 (1 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-20080262042-A1 1-[5-(2-Fluoropyridin-3-yl)-1-(phenylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine or a salt thereof; acid secretion inhibitor; potassium-competitive acid blocker REN, HRH2, ATP4A DHODH 3338/4885MTNR1A 479/4885GPR84 638/4885

“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.