SCHEMBL18094540

SCHEMBL18094540

CC(C)(C)COc1ccnc(-c2nsc(NC(=O)c3ccc(C(F)(F)F)cc3)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.43
▸ TP53 P04637 1/20 0.43
▸ ADORA3 P0DMS8 5/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MPL P40238 3/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ SCD O00767 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.39
▸ RAF1 P04049 1/20 0.39
▸ BRAF P15056 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39

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
SCHEMBL16718764 0.89 HTT (0.49) MAPTTP53ADORA3SMN1; SMN2MPL
SCHEMBL18094573 0.88 ADORA3 (0.53) MAPTTP53ADORA3SMN1; SMN2SCD
SCHEMBL18094472 0.86 MPL (0.42) MAPTTP53ADORA3SMN1; SMN2MPL
SCHEMBL18094557 0.83 MAPT (0.53) MAPTTP53ADORA3MPLRXFP1
SCHEMBL18094473 0.82 KDM4E (0.45) MAPTTP53ADORA3SMN1; SMN2MPL
SCHEMBL18094510 0.81 HTR2A (0.48) KCNH2
SCHEMBL18094532 0.81 TRPV1 (0.45) MAPTTP53ADORA3MPLRXFP1
SCHEMBL18094543 0.80 ADORA3 (0.39) MAPTTP53ADORA3MPL
SCHEMBL18094535 0.80 MAPT (0.44) MAPTADORA3MPLRXFP1LMNA
SCHEMBL18094520 0.80 MPL (0.45) MAPTTP53ADORA3MPLRXFP1

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-20170202849-A1 ANTIPARASITIC COMPOUNDS AVISTA PHARMA SOLUTIONS, INC. 2017-07-20 — — US claimed
US-9643963-B2 Antiparasitic compounds AVISTA PHARMA SOLUTIONS, INC. (US) 2017-05-09 — — US claimed
US-20160280700-A1 ANTIPARASITIC COMPOUNDS SNAPDRAGON CHEMISTRY, INC. 2016-09-29 — — US claimed

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-20160280700-A1 ANTIPARASITIC COMPOUNDS TPP2, TPP1, SERPINB1 MAPT 2921/4885TP53 4794/4885ADORA3 648/4885
US-20170202849-A1 ANTIPARASITIC COMPOUNDS TPP2, TPP1, SERPINB1 MAPT 2921/4885TP53 4794/4885ADORA3 648/4885

“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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