SCHEMBL19930449

SCHEMBL19930449

CC(=O)N1CCN(c2ccc3nccn3n2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.49
▸ MAP4K4 O95819 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CKS1B P61024 1/20 0.43
▸ SKP1 P63208 1/20 0.43
▸ SKP2 Q13309 1/20 0.43
▸ AURKA O14965 1/20 0.43
▸ DAPK3 O43293 1/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ ABL1 P00519 1/20 0.43
▸ NTRK1 P04629 1/20 0.43
▸ CSF1R P07333 1/20 0.43
▸ RET P07949 1/20 0.43
▸ FGFR1 P11362 1/20 0.43
▸ PRKACA P17612 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ MAP2K2 P36507 1/20 0.43

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
SCHEMBL19930451 0.83 NPSR1 (0.61) DPP4ALDH1A1HSD17B10GAAHPGD
SCHEMBL15254295 0.82 NAMPT (0.53) MAP4K4ALDH1A1CKS1BSKP1SKP2
SCHEMBL19930448 0.82 SLC6A7 (0.55) DPP4ALDH1A1L3MBTL1CKS1BSKP1
SCHEMBL19930458 0.81 SLC6A7 (0.54) ALDH1A1HSD17B10L3MBTL1HPGDGBA1
SCHEMBL19930446 0.78 HSD17B10 (0.63) ALDH1A1HSD17B10GAAHPGDGBA1
SCHEMBL18126664 0.78 ALDH1A1 (0.64) DPP4MAP4K4ALDH1A1HSD17B10GAA
SCHEMBL30755057 0.77 ALDH1A1 (0.54) MAP4K4ALDH1A1HSD17B10JAK2RET
SCHEMBL19930459 0.77 CA12 (0.54) —
SCHEMBL19930445 0.77 ALDH1A1 (0.65) ALDH1A1HPGDNPSR1
SCHEMBL19930456 0.77 ALDH1A1 (0.44) ALDH1A1HSD17B10GAAL3MBTL1HPGD

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 245/4885MAP4K4 2797/4885ALDH1A1 1257/4885

“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.

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