SCHEMBL9920918

SCHEMBL9920918

O=C(/N=C(\Nc1cc(C(F)(F)F)[nH]n1)NC1CCCC1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.51
CDK2 P24941 1/20 0.51
CCNA1 P78396 1/20 0.51
EPHX2 P34913 1/20 0.46
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
LMNA P02545 1/20 0.42
ACKR3 P25106 1/20 0.42
MEN1 O00255 1/20 0.41
ADCY8 P40145 1/20 0.40
ADCY1 Q08828 1/20 0.40
CCR2 P41597 2/20 0.39
STK25 O00506 1/20 0.39
MAPK1 P28482 1/20 0.39
MAPT P10636 1/20 0.39
PAK1 Q13153 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
SCHEMBL18558261 0.90 CCNA2 (0.42) CCNA2CDK2CCNA1EPHX2KMT2A
SCHEMBL9921043 0.88 STK25 (0.43) CCNA2CDK2CCNA1EPHX2KMT2A
SCHEMBL18558588 0.85 RAB9A (0.43) KMT2AALDH1A1ACKR3MEN1STK25
SCHEMBL9920808 0.85 NPC1 (0.42) CCNA2CDK2CCNA1EPHX2TAS1R3
SCHEMBL9921027 0.84 CCNA2 (0.43) CCNA2CDK2CCNA1ALDH1A1ACKR3
SCHEMBL18558140 0.84 STK25 (0.43) EPHX2KMT2AMEN1STK25MAPT
SCHEMBL9920919 0.83 CCNA2 (0.46) CCNA2CDK2CCNA1KMT2ANPSR1
SCHEMBL18558471 0.83 STK25 (0.40) KMT2ATAS1R3TAS1R1TAS1R2MEN1
SCHEMBL9920997 0.83 STK25 (0.39) CCNA2CDK2CCNA1EPHX2STK25
SCHEMBL17089670 0.82 ALDH1A1 (0.45) CCNA2CDK2CCNA1EPHX2ALDH1A1

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 10 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
EP-2648511-B1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORP (US) 2017-06-28 EP disclosed
US-9580388-B2 Pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2017-02-28 US disclosed
US-9580388-B2 Pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2017-02-28 US disclosed
US-9139532-B2 Pyrazolyl guanidine F1F0-atpase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2015-09-22 US disclosed
US-9139532-B2 Pyrazolyl guanidine F1F0-atpase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2015-09-22 US disclosed
WO-2012078874-A1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORPORATION (US) 2012-06-14 WO 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 CCNA2 2502/4885CDK2 1940/4885CCNA1 2299/4885

“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.