SCHEMBL16865705

SCHEMBL16865705

Cc1cc(N/C(=N\C(=O)c2ccccc2)Nc2cc(F)cc(Cl)c2)n[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 2/20 0.50
CDK2 P24941 2/20 0.50
CCNA1 P78396 2/20 0.50
NPC1 O15118 9/20 0.48
RAB9A P51151 9/20 0.48
CYP2D6 P10635 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
ATM Q13315 1/20 0.41
AURKA O14965 6/20 0.39
AURKB Q96GD4 5/20 0.39
MAPT P10636 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
GSK3B P49841 2/20 0.36
SRC P12931 1/20 0.36
AURKC Q9UQB9 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 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
SCHEMBL16865707 0.93 NPC1 (0.47) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL16865704 0.92 RAB9A (0.57) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL9920888 0.89 NPC1 (0.43) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL19135677 0.86 CYP2D6 (0.57) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL16865708 0.86 NPC1 (0.46) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL16675917 0.85 NPY5R (0.43) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL16865706 0.85 NPC1 (0.56) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL16865712 0.81 NPC1 (0.64) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL19362745 0.81 CYP2D6 (0.46) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL19362711 0.81 RAB9A (0.53) NPC1RAB9ACYP2D6SMN1; SMN2MAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190175556-A1 TRIFLUOROMETHYL PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2019-06-13 US disclosed
US-20170354643-A1 TRIFLUOROMETHYL PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-12-14 US disclosed
US-9707211-B2 Trifluoromethyl pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2017-07-18 US disclosed
US-20160287559-A1 TRIFLUOROMETHYL PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2016-10-06 US disclosed
US-9266839-B2 Trifluoromethyl pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2016-02-23 US disclosed
US-20150183745-A1 TRIFLUOROMETHYL PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORPORATION (US) 2015-07-02 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 (4 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-20170354643-A1 TRIFLUOROMETHYL PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1D CCNA2 3615/4885CDK2 2556/4885CCNA1 3725/4885
US-20160287559-A1 TRIFLUOROMETHYL PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1D CCNA2 3615/4885CDK2 2556/4885CCNA1 3725/4885
US-20190175556-A1 TRIFLUOROMETHYL PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1D CCNA2 3615/4885CDK2 2556/4885CCNA1 3725/4885
US-20150183745-A1 TRIFLUOROMETHYL PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1D CCNA2 3615/4885CDK2 2556/4885CCNA1 3725/4885

“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.