SCHEMBL19639775

SCHEMBL19639775

N#Cc1ccc(-n2ncnc2C(=O)NNc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.47
AURKA O14965 1/20 0.45
ELANE P08246 1/20 0.43
VNN1 O95497 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
SAE1 Q9UBE0 1/20 0.42
UBA2 Q9UBT2 1/20 0.42
LCK P06239 3/20 0.41
TEK Q02763 3/20 0.41
KDR P35968 3/20 0.41
IDH1 O75874 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
P2RY1 P47900 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
KCNJ6 P48051 1/20 0.38
KCNJ5 P48544 1/20 0.38

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
SCHEMBL19639784 0.83 RXFP1 (0.48) RXFP1AURKAELANEVNN1KDM4E
SCHEMBL19640095 0.83 ELANE (0.49) RXFP1AURKAELANEVNN1KDM4E
SCHEMBL19639821 0.82 ELANE (0.41) RXFP1AURKAELANEVNN1KDM4E
SCHEMBL25781909 0.82 CCR1 (0.55) VNN1
SCHEMBL19639777 0.77 ELANE (0.40) RXFP1AURKAELANEVNN1P2RY1
SCHEMBL19639822 0.77 ELANE (0.44) RXFP1AURKAELANEVNN1KDR
SCHEMBL19639812 0.75 ELANE (0.41) RXFP1AURKAELANEVNN1KDM4E
SCHEMBL25781803 0.71 CCR1 (0.47) VNN1
SCHEMBL19639810 0.70 ELANE (0.37) ELANEVNN1MAPTSMN1; SMN2P2RY1
SCHEMBL19654757 0.70 ELANE (0.37) ELANEVNN1P2RY1

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-3464269-B1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF A HNE RELATED DISEASE CHIESI FARM SPA (IT) 2020-04-01 EP 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
US-20170342056-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

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-20170342056-A1 NOVEL COMPOUNDS SERPINB1, ELANE, MPO RXFP1 4597/4885AURKA 4765/4885ELANE 2/4885

“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.