SCHEMBL19360246

SCHEMBL19360246

CC(C)(C)CN/C(=N/C(=O)c1ccc(Cl)cc1)Nc1cc(C(F)(F)F)[nH]n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK25 O00506 4/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
MAPT P10636 2/20 0.39
NR1I2 O75469 1/20 0.38
AHR P35869 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPK14 Q16539 1/20 0.38
CYP2D6 P10635 3/20 0.37
RET P07949 3/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
LCK P06239 1/20 0.36
SRC P12931 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL9921097 0.92 MAPT (0.40) STK25RAB9ANPC1MAPTNR1I2
SCHEMBL9920996 0.90 RET (0.38) STK25MAPK14RETLCKSRC
SCHEMBL19041543 0.89 STK25 (0.36) STK25MAPK14CYP2D6RETLCK
SCHEMBL9920708 0.88 STK25 (0.36) STK25MAPK14CYP2D6RETLCK
SCHEMBL9921007 0.88 STK25 (0.45) STK25RAB9ANPC1MAPTNR1I2
SCHEMBL19041625 0.87 STK25 (0.35) STK25MAPK14CYP2D6RETCCNA2
SCHEMBL17088585 0.87 STK25 (0.37) STK25MAPK14RETLCKSRC
SCHEMBL9921110 0.87 PRKAB2 (0.42) STK25RAB9ANPC1MAPTNR1I2
SCHEMBL9921022 0.86 STK25 (0.41) STK25RAB9ANPC1MAPTNR1I2
SCHEMBL9920920 0.85 STK25 (0.37) STK25MAPK14RETLCKSRC

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-9932313-B2 Pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2018-04-03 US disclosed
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-20170267643-A1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-09-21 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 STK25 2813/4885RAB9A 519/4885NPC1 1877/4885

“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.