SCHEMBL18094465

SCHEMBL18094465

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

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MPL P40238 9/20 0.49
▸ MAPT P10636 2/20 0.41
▸ ADORA3 P0DMS8 2/20 0.39
▸ TRPV1 Q8NER1 2/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ TNIK Q9UKE5 1/20 0.38
▸ LMNA P02545 1/20 0.37

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
SCHEMBL16718882 0.91 MPL (0.51) MPLMAPTADORA3TP53EGFR
SCHEMBL18094520 0.88 MPL (0.45) MPLMAPTADORA3TRPV1RXFP1
SCHEMBL18094550 0.86 ADORA3 (0.44) MAPTADORA3TRPV1RXFP1
SCHEMBL18094467 0.86 BRAF (0.47) MPLMAPT
SCHEMBL18094462 0.85 HTR2A (0.44) MAPT
SCHEMBL18094497 0.82 LSS (0.46) MPLMAPTADORA3TRPV1RXFP1
SCHEMBL18094532 0.81 TRPV1 (0.45) MPLMAPTADORA3TRPV1RXFP1
SCHEMBL18094557 0.81 MAPT (0.53) MPLMAPTADORA3TRPV1RXFP1
SCHEMBL18094472 0.81 MPL (0.42) MPLMAPTADORA3TP53EGFR
SCHEMBL18094473 0.79 KDM4E (0.45) MPLMAPTADORA3TRPV1RXFP1

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 6 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-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 2921/4885ADORA3 648/4885
US-20170202849-A1 ANTIPARASITIC COMPOUNDS TPP2, TPP1, SERPINB1 MPL 598/4885MAPT 2921/4885ADORA3 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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