SCHEMBL9921027

SCHEMBL9921027

O=C(/N=C(\Nc1cc(C(F)(F)F)[nH]n1)NC1CCCC1)c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 6/20 0.43
CDK2 P24941 6/20 0.43
CCNA1 P78396 6/20 0.43
STK25 O00506 2/20 0.43
CRHR1 P34998 1/20 0.41
EPHX1 P07099 2/20 0.39
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 0.39
MAPT P10636 1/20 0.39
TACR2 P21452 1/20 0.38
TACR1 P25103 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
BTK Q06187 1/20 0.37
CYP2D6 P10635 1/20 0.37
ACKR3 P25106 1/20 0.37
NR1I2 O75469 1/20 0.36
AHR P35869 1/20 0.36

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
SCHEMBL9920841 0.92 CCNA2 (0.41) CCNA2CDK2CCNA1STK25CRHR1
SCHEMBL18558588 0.91 RAB9A (0.43) STK25CRHR1EPHX1RAB9ANPC1
SCHEMBL18558140 0.90 STK25 (0.43) STK25CRHR1EPHX1RAB9ANPC1
SCHEMBL9921043 0.90 STK25 (0.43) CCNA2CDK2CCNA1STK25SMN1; SMN2
SCHEMBL18558261 0.90 CCNA2 (0.42) CCNA2CDK2CCNA1STK25CRHR1
SCHEMBL9920808 0.88 NPC1 (0.42) CCNA2CDK2CCNA1STK25CRHR1
SCHEMBL9920997 0.88 STK25 (0.39) CCNA2CDK2CCNA1STK25CRHR1
SCHEMBL9920897 0.87 STK25 (0.39) CCNA2CDK2CCNA1STK25CRHR1
SCHEMBL18558471 0.85 STK25 (0.40) STK25CRHR1RAB9ANPC1BTK
SCHEMBL9921073 0.84 CCNA2 (0.42) CCNA2CDK2CCNA1STK25CRHR1

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.