SCHEMBL19930438

SCHEMBL19930438

CN1CCN(c2ccc3nnc(C(C)(F)F)n3n2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.63
HTT P42858 2/20 0.60
TDP1 Q9NUW8 1/20 0.60
MAPT P10636 4/20 0.59
HPGD P15428 1/20 0.59
ALDH1A1 P00352 2/20 0.58
XBP1 P17861 1/20 0.58
ALOX15 P16050 1/20 0.58
HSD17B10 Q99714 2/20 0.55
TP53 P04637 2/20 0.55
AR P10275 5/20 0.52
KCNH2 Q12809 4/20 0.52
SMN1; SMN2 Q16637 1/20 0.48
PIM1 P11309 2/20 0.47
NPC1 O15118 1/20 0.44
CASP1 P29466 1/20 0.44
RAB9A P51151 1/20 0.44
CASP7 P55210 1/20 0.44
BRD4 O60885 1/20 0.44
RXFP1 Q9HBX9 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
SCHEMBL18126711 0.90 HTT (0.74) KDM4EHTTTDP1MAPTHPGD
SCHEMBL19930478 0.85 HTT (0.59) KDM4EHTTTDP1MAPTHPGD
SCHEMBL19930442 0.83 DPP4 (0.58) KDM4EHTTTDP1MAPTHPGD
SCHEMBL19930439 0.80 AR (0.67) KDM4EHTTTDP1MAPTHPGD
SCHEMBL19930479 0.80 HTT (0.56) KDM4EHTTTDP1MAPTHPGD
SCHEMBL19930467 0.80 HTT (0.50) KDM4EHTTTDP1MAPTHPGD
SCHEMBL19930437 0.79 DPP4 (0.63) KDM4EHTTTDP1MAPTHPGD
SCHEMBL19930440 0.79 DPP4 (0.63) KDM4EHTTTDP1MAPTHPGD
SCHEMBL19930469 0.78 HTT (0.51) KDM4EHTTTDP1MAPTHPGD
SCHEMBL19930465 0.77 HTT (0.50) HTTTDP1MAPTHPGDALDH1A1

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 KDM4E 3816/4885HTT 3615/4885TDP1 1472/4885

“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.