SCHEMBL19639784

SCHEMBL19639784

N#Cc1ccc(-n2ccnc2C(=O)NNc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.48
AURKA O14965 2/20 0.45
KDM4E B2RXH2 4/20 0.43
MAPT P10636 3/20 0.43
POLB P06746 2/20 0.43
P2RY1 P47900 1/20 0.42
KDR P35968 2/20 0.41
PDGFRB P09619 1/20 0.41
IDH1 O75874 1/20 0.41
VNN1 O95497 1/20 0.41
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40
ELANE P08246 2/20 0.40
AHSA1 O95433 1/20 0.40
AURKB Q96GD4 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL19639775 0.83 RXFP1 (0.47) RXFP1AURKAKDM4EMAPTP2RY1
SCHEMBL19639813 0.82 AURKA (0.42) RXFP1AURKAKDM4EMAPTPOLB
SCHEMBL19640095 0.80 ELANE (0.49) RXFP1AURKAKDM4EMAPTP2RY1
SCHEMBL19684716 0.78 MAPT (0.43) RXFP1AURKAKDM4EMAPTPOLB
SCHEMBL19639785 0.77 ELANE (0.41) RXFP1AURKAKDM4EMAPTPOLB
SCHEMBL19639815 0.77 RORC (0.41) RXFP1AURKAKDM4EMAPTPOLB
SCHEMBL19639795 0.76 ELANE (0.39) RXFP1AURKAKDM4EMAPTPOLB
SCHEMBL19684540 0.74 PDE4B (0.37) VNN1
SCHEMBL19651232 0.70 NR4A1 (0.42)
SCHEMBL19639779 0.69 ELANE (0.45) ELANE

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-3464268-B1 NOVEL COMPOUNDS CHIESI FARM SPA (IT) 2020-03-11 EP disclosed
EP-3464268-A1 NOVEL COMPOUNDS Chiesi Farmaceutici S.p.A. (IT) 2019-04-10 EP disclosed
US-10172830-B2 Pyrazolone compounds having human neutrophil elastase inhibitory properties CHIESI FARMACEUTICI S.P.A. (IT) 2019-01-08 US disclosed
US-10172830-B2 Pyrazolone compounds having human neutrophil elastase inhibitory properties CHIESI FARMACEUTICI S.P.A. (IT) 2019-01-08 US disclosed
WO-2017207433-A9 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF A DISEASE IN WHICH HNE IS IMPLICATED CHIESI FARMACEUTICI S.P.A. (IT) 2018-03-01 WO disclosed
US-9862706-B2 Compounds CHIESI FARMACEUTICI S.P.A. (IT) 2018-01-09 US disclosed
WO-2017207433-A1 HETETOCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF A DISEASE IN WHICH HNE IS IMPLICATED CHIESI FARMACEUTICI S.P.A. (IT) 2017-12-07 WO disclosed
WO-2017207432-A1 NOVEL COMPOUNDS CHIESI FARMACEUTICI S.P.A. (IT) 2017-12-07 WO disclosed
WO-2017207432-A1 NOVEL COMPOUNDS CHIESI FARMACEUTICI S.P.A. (IT) 2017-12-07 WO disclosed
US-20170342056-A1 NOVEL COMPOUNDS CHIESI FARMACEUTICI S.P.A. (IT) 2017-11-30 US disclosed
US-20170340611-A1 NOVEL COMPOUNDS CHIESI FARMACEUTICI S.P.A. (IT) 2017-11-30 US disclosed
US-20170342056-A1 NOVEL COMPOUNDS CHIESI FARMACEUTICI S.P.A. (IT) 2017-11-30 US disclosed
US-20170340611-A1 NOVEL COMPOUNDS CHIESI FARMACEUTICI S.P.A. (IT) 2017-11-30 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-20170340611-A1 NOVEL COMPOUNDS SERPINB1, ELANE, MPO RXFP1 4447/4885AURKA 4842/4885KDM4E 4400/4885
US-20170342056-A1 NOVEL COMPOUNDS SERPINB1, ELANE, MPO RXFP1 4597/4885AURKA 4765/4885KDM4E 4520/4885
US-10172830-B2 Pyrazolone compounds having human neutrophil elastase inhibitory properties SERPINB1, ELANE, EPX RXFP1 4389/4885AURKA 4752/4885KDM4E 4206/4885

“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.