SCHEMBL19930469

SCHEMBL19930469

CC(F)(F)c1nnc2ccc(N3CCNC(=O)CC3)nn12

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
ALOX15 P16050 1/20 0.49
MAPT P10636 4/20 0.47
ALDH1A1 P00352 2/20 0.47
XBP1 P17861 1/20 0.47
HPGD P15428 1/20 0.47
AR P10275 5/20 0.45
KCNH2 Q12809 4/20 0.45
HSD17B10 Q99714 2/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 2/20 0.39
PIM1 P11309 1/20 0.38
APAF1 O14727 1/20 0.38
BRD4 O60885 2/20 0.38

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
SCHEMBL18126679 0.91 HTT (0.63) HTTTDP1ALOX15MAPTALDH1A1
SCHEMBL19930478 0.84 HTT (0.59) HTTTDP1ALOX15MAPTALDH1A1
SCHEMBL19930438 0.78 KDM4E (0.63) HTTTDP1ALOX15MAPTALDH1A1
SCHEMBL749962 0.75 HTT (0.72) HTTTDP1ALOX15MAPTALDH1A1
SCHEMBL19930442 0.75 DPP4 (0.58) HTTTDP1ALOX15MAPTALDH1A1
SCHEMBL12368785 0.74 MET (0.47)
SCHEMBL2266118 0.74 HTT (0.74) HTTTDP1ALOX15MAPTALDH1A1
Hydrochloric Acid SCHEMBL2264414 0.73 HTT (0.72) HTTTDP1ALOX15MAPTALDH1A1
SCHEMBL19930439 0.73 AR (0.67) HTTTDP1ALOX15MAPTALDH1A1
SCHEMBL19930479 0.72 HTT (0.56) HTTTDP1ALOX15MAPTALDH1A1

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 HTT 3615/4885TDP1 1472/4885ALOX15 1745/4885

“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.