SCHEMBL19930440

SCHEMBL19930440

CC(F)(F)c1nnc2ccc(N3CCN(C(=O)c4ccccc4)CC3)nn12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.63
MAPT P10636 7/20 0.57
HPGD P15428 2/20 0.57
ALDH1A1 P00352 3/20 0.51
XBP1 P17861 1/20 0.51
HTT P42858 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
TP53 P04637 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HSD17B10 Q99714 3/20 0.48
ALOX15 P16050 2/20 0.48
LMNA P02545 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
POLB P06746 2/20 0.46
GAA P10253 1/20 0.46
THRB P10828 1/20 0.46
ATM Q13315 1/20 0.46
SLC6A7 Q99884 2/20 0.45
HSD11B1 P28845 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL18126731 0.91 MAPT (0.69) DPP4MAPTHPGDALDH1A1XBP1
SCHEMBL19930442 0.85 DPP4 (0.58) DPP4MAPTHPGDALDH1A1XBP1
SCHEMBL19930467 0.81 HTT (0.50) DPP4MAPTHPGDALDH1A1XBP1
SCHEMBL19930437 0.80 DPP4 (0.63) DPP4MAPTHPGDALDH1A1XBP1
SCHEMBL19930438 0.79 KDM4E (0.63) MAPTHPGDALDH1A1XBP1HTT
SCHEMBL19930439 0.78 AR (0.67) DPP4MAPTHPGDALDH1A1XBP1
SCHEMBL18126721 0.77 HTT (0.66) DPP4MAPTHPGDALDH1A1XBP1
SCHEMBL19930478 0.75 HTT (0.59) MAPTHPGDALDH1A1XBP1HTT
SCHEMBL2268416 0.75 HTT (0.59) DPP4MAPTHPGDALDH1A1XBP1
SCHEMBL2265309 0.74 MAPT (0.57) MAPTHPGDALDH1A1XBP1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180064711-A1 METHODS FOR TREATING CRYPTOSPORIDIOSIS USING TRIAZOLOPYRIDAZINES UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE 2018-03-08 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 (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-20180064711-A1 METHODS FOR TREATING CRYPTOSPORIDIOSIS USING TRIAZOLOPYRIDAZINES CLPP, SI, SAMHD1 DPP4 245/4885MAPT 3210/4885HPGD 1627/4885

“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.