SCHEMBL9921097

SCHEMBL9921097

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
CYP2D6 P10635 3/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NR1I2 O75469 1/20 0.37
AHR P35869 1/20 0.37
ALOX15 P16050 1/20 0.36
STK25 O00506 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPY5R Q15761 1/20 0.35
GABRA5 P31644 1/20 0.35
RHOC P08134 2/20 0.35
RHOA P61586 2/20 0.35
MAPK14 Q16539 1/20 0.35
KDM4E B2RXH2 1/20 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
SCHEMBL19360246 0.92 STK25 (0.39) MAPTRAB9ANPC1CYP2D6CCNA2
SCHEMBL9921007 0.92 STK25 (0.45) MAPTRAB9ANPC1CCNA2CDK2
SCHEMBL9921124 0.91 ACR (0.37) CCNA2CDK2CCNA1STK25
SCHEMBL9920650 0.84 ROCK2 (0.41) MAPTRAB9ANPC1CYP2D6CCNA2
SCHEMBL9921110 0.84 PRKAB2 (0.42) MAPTRAB9ANPC1CYP2D6CCNA2
SCHEMBL9921022 0.84 STK25 (0.41) MAPTRAB9ANPC1CYP2D6CCNA2
SCHEMBL9920682 0.84 MAPK1 (0.42) MAPTRAB9ANPC1CYP2D6ALOX15
SCHEMBL9920667 0.83 PTGER4 (0.37) MAPTRAB9ANPC1CYP2D6ALOX15
SCHEMBL9920666 0.83 ALOX15 (0.44) MAPTRAB9ANPC1ALOX15
SCHEMBL19041447 0.82 GSK3B (0.37) MAPTRAB9ANPC1CYP2D6CCNA2

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 MAPT 3530/4885RAB9A 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.