SCHEMBL671291

SCHEMBL671291

O=C(NCc1ccc(Cl)c(N=C=S)c1)C1(C(F)(F)F)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGES O14684 5/20 0.42
TSHR P16473 2/20 0.36
P2RX7 Q99572 7/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
TRPA1 O75762 1/20 0.34
METAP2 P50579 2/20 0.34
LMNA P02545 1/20 0.33
HPGD P15428 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
SCHEMBL1727329 0.87 PTGES (0.44) PTGESTSHRP2RX7TRPA1METAP2
SCHEMBL1725947 0.86 PTGES (0.41) PTGESTSHRP2RX7TRPA1
SCHEMBL9905721 0.84 METAP2 (0.36) PTGESP2RX7METAP2
SCHEMBL1726718 0.81 TSHR (0.43) TSHRP2RX7SMN1; SMN2MEN1ALDH1A1
SCHEMBL17199101 0.80 PTGES (0.52) PTGESTSHRP2RX7SMN1; SMN2MEN1
SCHEMBL3101317 0.80 DRD2 (0.39) PTGESTSHRSMN1; SMN2MEN1ALDH1A1
SCHEMBL671308 0.79 P2RX7 (0.36) PTGESP2RX7TRPA1METAP2
SCHEMBL15033819 0.78 PTGES (0.48) PTGESTSHRP2RX7SMN1; SMN2HPGD
SCHEMBL671791 0.78 PTGES (0.46) PTGESTSHRP2RX7SMN1; SMN2MEN1
SCHEMBL9939887 0.77 PTGES (0.42) PTGESTSHRP2RX7SMN1; SMN2MEN1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649071-B1 Imidazo(4,5-b)pyridine-6-carboxamides as anti-inflammatory agents OREXO AB (SE) 2015-07-08 EP disclosed
US-8921405-B2 Compounds OREXO AB (SE) 2014-12-30 US disclosed
EP-2403852-B1 2-AMINOBENZIMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INT (DE) 2014-10-29 EP disclosed
EP-2649052-B1 2-AMINOBENZIMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INT (DE) 2014-10-22 EP disclosed
EP-2649052-B1 2-AMINOBENZIMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INT (DE) 2014-10-22 EP disclosed
US-8586604-B2 Inhibitors of the microsomal prostaglandin E2 synthase-1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-19 US disclosed
US-20130303571-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-14 US disclosed
EP-2649052-A1 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION Boehringer Ingelheim International GmbH (DE) 2013-10-16 EP disclosed
US-8486968-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-16 US disclosed
EP-2606046-A1 2-(ARYLAMINO)-3H-IMIDAZO[4,5-B]PYRIDINE-6-CARBOXAMIDE DERIVATIVES AND THEIR USE AS MPGES-1 INHIBITORS Boehringer Ingelheim International GmbH (DE) 2013-06-26 EP disclosed
US-20120309738-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 US disclosed
US-20120309738-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 US disclosed
US-20120208839-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-16 US disclosed
US-20120196897-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-02 US disclosed
WO-2012076672-A1 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 WO disclosed
WO-2012076672-A1 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 WO disclosed
WO-2012022792-A1 2-(ARYLAMINO)-3H-IMIDAZO[4,5-B]PYRIDINE-6-CARBOXAMIDE DERIVATIVES AND THEIR USE AS MPGES-1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 WO disclosed
EP-2403852-A1 3H-IMIDAZO [4, 5 -C]PYRIDINE- 6 -CARBOXAMIDES AS ANTI- INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2012-01-11 EP disclosed
US-20100256188-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-07 US disclosed
WO-2010100249-A1 3H-IMIDAZO [4, 5 -C] PYRIDINE- 6 -CARBOXAMIDES AS ANTI- INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-10 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 (5 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-20120309738-A1 NOVEL COMPOUNDS PTGER1, PTGS1, PTGES PTGES 3/4885TSHR 1934/4885P2RX7 157/4885
US-20120196897-A1 NEW COMPOUNDS MTX1, LTB4R, RDX PTGES 307/4885TSHR 2896/4885P2RX7 54/4885
US-20130303571-A1 NEW COMPOUNDS MTX1, LTB4R, RDX PTGES 307/4885TSHR 2896/4885P2RX7 54/4885
US-20100256188-A1 NEW COMPOUNDS MTX1, LTB4R, RDX PTGES 307/4885TSHR 2896/4885P2RX7 54/4885
US-20120208839-A1 NEW COMPOUNDS PTGER1, PTGS1, PTGES PTGES 3/4885TSHR 2750/4885P2RX7 170/4885

“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.