SCHEMBL19954570

SCHEMBL19954570

CC(C)c1cc(C(F)(F)F)nn1C1CCNC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 4/20 0.42
PLAT P00750 1/20 0.38
KHK P50053 4/20 0.35
MAP3K12 Q12852 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
HTR6 P50406 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
NSD3 Q9BZ95 1/20 0.32
PIK3CD O00329 2/20 0.31
ABL1 P00519 2/20 0.31
EGFR P00533 2/20 0.31
HCK P08631 2/20 0.31
SRC P12931 2/20 0.31
KDR P35968 2/20 0.31
PIK3CA P42336 2/20 0.31
PIK3CB P42338 2/20 0.31
MTOR P42345 2/20 0.31

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
SCHEMBL19954537 0.92 PLAT (0.42) TGFBR1PLATKHKMAP3K12SLC6A2
SCHEMBL19105611 0.84 TGFBR1 (0.35) TGFBR1MAP3K12
SCHEMBL21023577 0.82 TGFBR1 (0.44) TGFBR1PLATKHKHTR6HTR2A
SCHEMBL19954553 0.81 NR3C2 (0.40) TGFBR1MAP3K12TLR8
SCHEMBL19954663 0.81 NR3C2 (0.38) TGFBR1MAP3K12
SCHEMBL18161155 0.80 NSD3 (0.36) KHKHTR2AHTR2CHTR2BNSD3
SCHEMBL21024127 0.80 NR3C2 (0.40) TGFBR1MAP3K12TLR8
SCHEMBL19954572 0.80 MAPK1 (0.36) TGFBR1PLATMAP3K12
SCHEMBL19954634 0.80 CRBN (0.35) TGFBR1PLATMAP3K12
SCHEMBL19954574 0.79 MAP3K12 (0.43) TGFBR1MAP3K12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10392350-B2 N-substituted pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2019-08-27 US disclosed
US-20180222867-A1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORPORATION 2018-08-09 US disclosed
US-9914706-B2 N-substituted pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2018-03-13 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 (2 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-10392350-B2 N-substituted pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof ATP5F1A, ATP5ME, ATP5F1D TGFBR1 4644/4885PLAT 2233/4885KHK 834/4885
US-20180222867-A1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1D TGFBR1 4644/4885PLAT 2233/4885KHK 834/4885

“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.