SCHEMBL3868620

SCHEMBL3868620

C#CCNC(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.62
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
HTT P42858 3/20 0.62
RAB9A P51151 1/20 0.62
ALDH1A1 P00352 1/20 0.61
SMN1; SMN2 Q16637 4/20 0.57
LMNA P02545 4/20 0.57
KDM4E B2RXH2 1/20 0.56
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
KDR P35968 1/20 0.56
TP53 P04637 4/20 0.56
GAA P10253 3/20 0.55
XBP1 P17861 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
MAPK1 P28482 2/20 0.53
PAX8 Q06710 1/20 0.53

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
SCHEMBL3865228 0.86 KMT2A (0.59) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL3429585 0.84 MAPT (0.68) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL19252045 0.82 MEN1 (0.66) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL30101230 0.82 KMT2A (0.90) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL5597699 0.82 KMT2A (0.90) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL12989341 0.82 LMNA (0.71) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL3433781 0.81 TP53 (0.64) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL4548162 0.80 KMT2A (0.87) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL14855582 0.80 MAPT (0.70) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL14685427 0.80 MAPT (0.66) MAPTMEN1KMT2AHTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3464273-B9 IMIDAZOLONE COMPOUNDS AS HUMAN NEUTROPHIL ELASTASE INHIBITORS CHIESI FARM SPA (IT) 2020-10-21 EP disclosed
EP-3464273-B9 IMIDAZOLONE COMPOUNDS AS HUMAN NEUTROPHIL ELASTASE INHIBITORS CHIESI FARM SPA (IT) 2020-10-21 EP disclosed
EP-3464273-B1 IMIDAZOLONE COMPOUNDS AS HUMAN NEUTROPHIL ELASTASE INHIBITORS CHIESI FARM SPA (IT) 2020-04-08 EP disclosed
EP-3464273-B1 IMIDAZOLONE COMPOUNDS AS HUMAN NEUTROPHIL ELASTASE INHIBITORS CHIESI FARM SPA (IT) 2020-04-08 EP disclosed
EP-3464269-B1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF A HNE RELATED DISEASE CHIESI FARM SPA (IT) 2020-04-01 EP disclosed
EP-3464269-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF A DISEASE IN WHICH HNE IS IMPLICATED Chiesi Farmaceutici S.p.A. (IT) 2019-04-10 EP disclosed
EP-3464273-A1 IMIDAZOLONE COMPOUNDS AS HUMAN NEUTROPHIL ELASTASE INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2019-04-10 EP disclosed
EP-3233833-B1 NOVEL COMPOUNDS CHIESI FARM SPA (IT) 2019-02-20 EP disclosed
EP-3233833-B1 NOVEL COMPOUNDS CHIESI FARM SPA (IT) 2019-02-20 EP disclosed
US-10023558-B2 Compounds CHIESI FARMACEUTICI S.P.A. (IT) 2018-07-17 US disclosed
WO-2016096638-A1 NOVEL COMPOUNDS CHIESI FARMACEUTICI S.P.A. (IT) 2016-06-23 WO disclosed
US-20160168101-A1 NOVEL COMPOUNDS CHIESI FARMACEUTICI S.P.A. (IT) 2016-06-16 US disclosed
US-20160168101-A1 NOVEL COMPOUNDS CHIESI FARMACEUTICI S.P.A. (IT) 2016-06-16 US disclosed
US-20160168101-A1 NOVEL COMPOUNDS CHIESI FARMACEUTICI S.P.A. (IT) 2016-06-16 US disclosed
US-20090005373-A1 SUBSTITUTED SULFONAMIDO-MACROCYCLES AS TIE2 INHIBITORS AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-01 US disclosed
US-20090005373-A1 SUBSTITUTED SULFONAMIDO-MACROCYCLES AS TIE2 INHIBITORS AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-01 US disclosed
US-20090005373-A1 SUBSTITUTED SULFONAMIDO-MACROCYCLES AS TIE2 INHIBITORS AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-01 US disclosed
EP-1873159-A1 Substituted sulphonamido-macrocycles as Tie2 inhibitors and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same Bayer Schering Pharma Aktiengesellschaft (DE) 2008-01-02 EP disclosed
EP-1873159-A1 Substituted sulphonamido-macrocycles as Tie2 inhibitors and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same Bayer Schering Pharma Aktiengesellschaft (DE) 2008-01-02 EP disclosed
WO-2007147575-A2 SUBSTITUTED SULFONAMIDO-MACROCYCLES AS TIE2 INHIBITORS AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISINGS SAME, METHODS OF PREPARING SAME AND USES SAME BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-12-27 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 (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-10023558-B2 Compounds SERPINB1, ELANE, MPO MAPT 3506/4885MEN1 3964/4885KMT2A 3935/4885
US-20160168101-A1 NOVEL COMPOUNDS ELANE, SERPINB1, MPO MAPT 4309/4885MEN1 4140/4885KMT2A 4210/4885
US-20090005373-A1 SUBSTITUTED SULFONAMIDO-MACROCYCLES AS TIE2 INHIBITORS AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME TIE1, KDR, TEK MAPT 2698/4885MEN1 480/4885KMT2A 532/4885

“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.