SCHEMBL18094472

SCHEMBL18094472

CN(C)CCOc1ccnc(-c2nsc(NC(=O)c3ccc(C(F)(F)F)cc3)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MPL P40238 4/20 0.42
▸ MAPT P10636 4/20 0.41
▸ TP53 P04637 1/20 0.41
▸ ADORA3 P0DMS8 3/20 0.41
▸ HDAC1 Q13547 2/20 0.41
▸ EGFR P00533 2/20 0.40
▸ ERBB2 P04626 1/20 0.40
▸ IGF1R P08069 1/20 0.40
▸ ESRRG P62508 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ BRAF P15056 1/20 0.39
▸ AURKA O14965 1/20 0.38
▸ RPS6KB1 P23443 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 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
SCHEMBL16718764 0.90 HTT (0.49) MPLMAPTTP53ADORA3SMN1; SMN2
SCHEMBL18094542 0.86 MAPT (0.43) MPLMAPTTP53HDAC1KDM4E
SCHEMBL18094540 0.86 MAPT (0.43) MPLMAPTTP53ADORA3SMN1; SMN2
SCHEMBL18094573 0.86 ADORA3 (0.53) MAPTTP53ADORA3SMN1; SMN2HTT
SCHEMBL18094497 0.83 LSS (0.46) MPLMAPTTP53ADORA3HDAC1
SCHEMBL16718882 0.83 MPL (0.51) MPLMAPTTP53ADORA3EGFR
SCHEMBL18094510 0.82 HTR2A (0.48) RPS6KB1
SCHEMBL18094520 0.82 MPL (0.45) MPLMAPTTP53ADORA3
SCHEMBL18094465 0.81 MPL (0.49) MPLMAPTTP53ADORA3EGFR
SCHEMBL18094557 0.80 MAPT (0.53) MPLMAPTTP53ADORA3

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-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-20160280700-A1 ANTIPARASITIC COMPOUNDS SNAPDRAGON CHEMISTRY, INC. 2016-09-29 — — 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 (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 598/4885MAPT 2921/4885TP53 4794/4885
US-20170202849-A1 ANTIPARASITIC COMPOUNDS TPP2, TPP1, SERPINB1 MPL 598/4885MAPT 2921/4885TP53 4794/4885

“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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