SCHEMBL16718764

SCHEMBL16718764

COCCOc1ccnc(-c2nsc(NC(=O)c3ccc(C(F)(F)F)cc3)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ ADORA3 P0DMS8 5/20 0.44
▸ MAPT P10636 5/20 0.43
▸ TP53 P04637 2/20 0.43
▸ MPL P40238 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ THRB P10828 1/20 0.41
▸ SCD O00767 2/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL18094573 0.90 ADORA3 (0.53) HTTKMT2AALDH1A1ADORA3MAPT
SCHEMBL18094472 0.90 MPL (0.42) HTTKDM4EKMT2AADORA3MAPT
SCHEMBL18094540 0.89 MAPT (0.43) ADORA3MAPTTP53MPLSMN1; SMN2
SCHEMBL18094510 0.85 HTR2A (0.48) —
SCHEMBL18094473 0.84 KDM4E (0.45) KDM4EADORA3MAPTTP53MPL
SCHEMBL16718882 0.83 MPL (0.51) HTTKDM4EKMT2AALDH1A1HPGD
SCHEMBL18094557 0.83 MAPT (0.53) ADORA3MAPTTP53MPLRXFP1
SCHEMBL18094532 0.81 TRPV1 (0.45) ADORA3MAPTTP53MPLRXFP1
SCHEMBL18094543 0.80 ADORA3 (0.39) ADORA3MAPTTP53MPL
SCHEMBL18094520 0.80 MPL (0.45) ADORA3MAPTTP53MPLRXFP1

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 5 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
EP-3082821-A1 ANTIPARASITIC COMPOUNDS Avista Pharma Solutions, Inc. (US) 2016-10-26 — — EP disclosed
WO-2015073797-A1 ANTIPARASITIC COMPOUNDS SCYNEXIS INC. (US) 2015-05-21 — — WO 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 (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 HTT 283/4885KDM4E 3999/4885KMT2A 3102/4885
US-20170202849-A1 ANTIPARASITIC COMPOUNDS TPP2, TPP1, SERPINB1 HTT 283/4885KDM4E 3999/4885KMT2A 3102/4885

“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.

Send feedback