SCHEMBL19954583

SCHEMBL19954583

COC(=O)NC1CCC(n2nc(C(F)(F)F)cc2C(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
JAK1 P23458 6/20 0.38
JAK2 O60674 2/20 0.38
KDM5A P29375 1/20 0.37
IDO1 P14902 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NR3C2 P08235 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33
PRCP P42785 1/20 0.33
CARM1 Q86X55 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
SCHEMBL19954613 0.94 MEN1 (0.38) MEN1KMT2AJAK1JAK2KDM5A
SCHEMBL19954547 0.90 MEN1 (0.40) MEN1KMT2AKDM5AIDO1CHRNB2
SCHEMBL18164111 0.86 CRHR1 (0.40) MEN1KMT2AJAK1JAK2GAA
SCHEMBL21024092 0.85 JAK1 (0.38) MEN1KMT2AJAK1JAK2CHRNB2
SCHEMBL19954610 0.84 PDE7A (0.39) MEN1KMT2AKDM5AGAAALDH1A1
SCHEMBL18161197 0.83 JAK1 (0.41) MEN1KMT2AJAK1JAK2KDM5A
SCHEMBL19954607 0.81 GAA (0.36) MEN1KMT2AGAANR3C2
SCHEMBL19954587 0.81 AR (0.41) MEN1KMT2ACCNT1CDK4CCND1
SCHEMBL18164110 0.80 CRHR1 (0.42) MEN1KMT2AJAK1JAK2GAA
SCHEMBL19105611 0.80 TGFBR1 (0.35) MEN1KMT2AGAAKDM4ENR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10392350-B2 N-substituted pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2019-08-27 US disclosed
EP-3080087-B1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORP (US) 2019-05-22 EP disclosed
US-20180222867-A1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORPORATION 2018-08-09 US disclosed
US-9914706-B2 N-substituted pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2018-03-13 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 (2 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-10392350-B2 N-substituted pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof ATP5F1A, ATP5ME, ATP5F1D MEN1 3723/4885KMT2A 4057/4885JAK1 4236/4885
US-20180222867-A1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1D MEN1 3723/4885KMT2A 4057/4885JAK1 4236/4885

“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.