SCHEMBL2194154

SCHEMBL2194154

CN(Cc1c[nH]c(-c2cccnc2F)c1F)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.38
FFAR4 Q5NUL3 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 2/20 0.35
CDK4 P11802 1/20 0.34
DHODH Q02127 3/20 0.34
MTNR1A P48039 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
DYRK1A Q13627 1/20 0.33
TACR1 P25103 1/20 0.33
KMT2A Q03164 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
RIPK1 Q13546 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
SCHEMBL4998745 0.89 LMNA (0.35) NAPRTFFAR4ALDH1A1KDM4ECDK4
SCHEMBL4416056 0.87 TACR1 (0.36) NAPRTFFAR4ALDH1A1KDM4ECDK4
SCHEMBL5006157 0.86 PLCG1 (0.34) NAPRTFFAR4ALDH1A1KDM4ECDK4
SCHEMBL1830980 0.83 NAPRT (0.33) NAPRTFFAR4DHODHMTNR1ADYRK1A
SCHEMBL1830977 0.83 SSTR4 (0.38) TACR1RIPK1
SCHEMBL14899993 0.82 GPR84 (0.36) NAPRTMTNR1AMAPTDYRK1ATAAR1
SCHEMBL12417811 0.79 GPR84 (0.39) NAPRTKDM4EDHODHMTNR1ALMNA
SCHEMBL2194158 0.78 MTNR1A (0.45) NAPRTCDK4MTNR1AKMT2A
SCHEMBL5008198 0.78 TACR1 (0.38) NAPRTFFAR4ALDH1A1LMNAMAPT
SCHEMBL12417843 0.76 GPR84 (0.40) MAPT

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 12 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-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-8933105-B2 Pyrrole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-13 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
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
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 (4 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 NAPRT 1789/4885FFAR4 3291/4885ALDH1A1 1448/4885
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 NAPRT 2617/4885FFAR4 395/4885ALDH1A1 1650/4885
US-20140031393-A1 PYRROLE COMPOUNDS PRLHR, C1R, C1S NAPRT 1789/4885FFAR4 3291/4885ALDH1A1 1448/4885
US-20110172275-A1 PYRROLE COMPOUNDS PRLHR, C1R, C1S NAPRT 1789/4885FFAR4 3291/4885ALDH1A1 1448/4885

“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.