SCHEMBL18558223

SCHEMBL18558223

COC[C@H](C)N/C(=N/C(=O)c1ccc(C(F)(F)F)nc1)Nc1cc(C(F)(F)F)[nH]n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 5/20 0.42
CDK2 P24941 5/20 0.42
MAPK1 P28482 7/20 0.41
HCAR3 P49019 1/20 0.37
STK25 O00506 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 2/20 0.34
RET P07949 2/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
STAT1 P42224 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GSK3B P49841 2/20 0.34

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
SCHEMBL18558119 0.88 MAPK1 (0.38) CCNE1CDK2MAPK1STK25IDO1
SCHEMBL18558426 0.88 MAPK1 (0.37) MAPK1STK25
SCHEMBL18558551 0.87 ALDH1A1 (0.41) CCNE1CDK2MAPK1STK25ALDH1A1
SCHEMBL18558667 0.84 STK25 (0.36) CCNE1CDK2MAPK1STK25ALDH1A1
SCHEMBL18558522 0.83 SMN1; SMN2 (0.41) CDK2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL9920819 0.82 PRKAB2 (0.38) CCNE1CDK2MAPK1STK25RET
SCHEMBL9920920 0.81 STK25 (0.37) MAPK1STK25RET
SCHEMBL16682080 0.80 CCNE1 (0.37) CCNE1CDK2MAPK1STK25ALDH1A1
SCHEMBL18556907 0.79 CCNE1 (0.37) CCNE1CDK2MAPK1STK25ALDH1A1
SCHEMBL16682111 0.78 CDK2 (0.46) CCNE1CDK2MAPK1POLBGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9932313-B2 Pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2018-04-03 US disclosed
US-20170267643-A1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-09-21 US disclosed
US-9580388-B2 Pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2017-02-28 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-20170267643-A1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5F1D, ATP5ME CCNE1 2931/4885CDK2 1940/4885MAPK1 2483/4885

“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.