SCHEMBL16718882

SCHEMBL16718882

COCCN(C)c1ccnc(-c2nsc(NC(=O)c3ccc(C(F)(F)F)cc3)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MPL P40238 5/20 0.51
▸ BRAF P15056 2/20 0.44
▸ KDM4E B2RXH2 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ MAPT P10636 4/20 0.40
▸ EGFR P00533 1/20 0.40
▸ ADORA3 P0DMS8 3/20 0.40
▸ HPGD P15428 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ALDH1A1 P00352 1/20 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
SCHEMBL18094465 0.91 MPL (0.49) MPLMAPTEGFRADORA3TP53
SCHEMBL18094520 0.87 MPL (0.45) MPLMAPTADORA3TP53
SCHEMBL18094575 0.86 MPL (0.49) MPLBRAFKDM4EHTTKMT2A
SCHEMBL18094550 0.85 ADORA3 (0.44) MAPTADORA3
SCHEMBL18094467 0.85 BRAF (0.47) MPLBRAFMAPTSMN1; SMN2ALDH1A1
SCHEMBL18094462 0.83 HTR2A (0.44) BRAFMAPTSMN1; SMN2
SCHEMBL16718764 0.83 HTT (0.49) MPLKDM4EHTTKMT2AMAPT
SCHEMBL18094472 0.83 MPL (0.42) MPLBRAFKDM4EHTTKMT2A
SCHEMBL18094473 0.81 KDM4E (0.45) MPLKDM4EMAPTADORA3TP53
SCHEMBL18094573 0.81 ADORA3 (0.53) HTTKMT2AMAPTADORA3TP53

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 14 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
US-20170202849-A1 ANTIPARASITIC COMPOUNDS AVISTA PHARMA SOLUTIONS, INC. 2017-07-20 — — US disclosed
US-20170202849-A1 ANTIPARASITIC COMPOUNDS AVISTA PHARMA SOLUTIONS, INC. 2017-07-20 — — US disclosed
US-20170202849-A1 ANTIPARASITIC COMPOUNDS AVISTA PHARMA SOLUTIONS, INC. 2017-07-20 — — US disclosed
US-9643963-B2 Antiparasitic compounds AVISTA PHARMA SOLUTIONS, INC. (US) 2017-05-09 — — US disclosed
US-9643963-B2 Antiparasitic compounds AVISTA PHARMA SOLUTIONS, INC. (US) 2017-05-09 — — US disclosed
US-9643963-B2 Antiparasitic compounds AVISTA PHARMA SOLUTIONS, INC. (US) 2017-05-09 — — US disclosed
EP-3082821-A1 ANTIPARASITIC COMPOUNDS Avista Pharma Solutions, Inc. (US) 2016-10-26 — — EP disclosed
US-20160280700-A1 ANTIPARASITIC COMPOUNDS SNAPDRAGON CHEMISTRY, INC. 2016-09-29 — — US disclosed
US-20160280700-A1 ANTIPARASITIC COMPOUNDS SNAPDRAGON CHEMISTRY, INC. 2016-09-29 — — US disclosed
US-20160280700-A1 ANTIPARASITIC COMPOUNDS SNAPDRAGON CHEMISTRY, INC. 2016-09-29 — — US 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 MPL 598/4885BRAF 4713/4885KDM4E 3999/4885
US-20170202849-A1 ANTIPARASITIC COMPOUNDS TPP2, TPP1, SERPINB1 MPL 598/4885BRAF 4713/4885KDM4E 3999/4885

“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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