SCHEMBL9920683

SCHEMBL9920683

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 13/20 0.44
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.39
NR1I2 O75469 1/20 0.38
AHR P35869 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RET P07949 2/20 0.38
CYP2D6 P10635 1/20 0.37
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 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
SCHEMBL9920701 0.96 MAPK1 (0.42) MAPK1NPC1RAB9AMAPT
SCHEMBL9920823 0.93 MAPK1 (0.42) MAPK1NPC1RAB9AMAPTNR1I2
SCHEMBL9920924 0.93 MAPK1 (0.42) MAPK1NPC1RAB9AMAPTNR1I2
SCHEMBL9920709 0.93 MAPK1 (0.42) MAPK1NPC1RAB9AMAPTNR1I2
SCHEMBL9920651 0.92 MAPK1 (0.44) MAPK1NPC1RAB9AMAPTCYP2D6
SCHEMBL9920668 0.88 MAPK1 (0.42) MAPK1NPC1RAB9AMAPTNR1I2
SCHEMBL19041588 0.86 PDE2A (0.38) MAPK1NR1I2RET
SCHEMBL19041787 0.85 PDE2A (0.35) MAPK1RET
SCHEMBL9921110 0.85 PRKAB2 (0.42) NPC1RAB9AMAPTNR1I2AHR
SCHEMBL9921073 0.84 CCNA2 (0.42) NPC1RAB9AMAPTNR1I2AHR

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 MAPK1 2483/4885NPC1 1877/4885RAB9A 519/4885

“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.