SCHEMBL18094497

SCHEMBL18094497

CN(C)Cc1ccnc(-c2nsc(NC(=O)c3ccc(C(F)(F)F)cc3)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LSS P48449 1/20 0.46
▸ MAPT P10636 2/20 0.43
▸ MCHR1 Q99705 1/20 0.42
▸ MPL P40238 6/20 0.42
▸ ADORA3 P0DMS8 2/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.40
▸ BRAF P15056 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HIF1A Q16665 1/20 0.39
▸ EPAS1 Q99814 1/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TRPV1 Q8NER1 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
SCHEMBL18094532 0.88 TRPV1 (0.45) MAPTMPLADORA3RXFP1TP53
SCHEMBL18094520 0.85 MPL (0.45) MAPTMPLADORA3RXFP1TP53
SCHEMBL18094557 0.83 MAPT (0.53) MAPTMCHR1MPLADORA3RXFP1
SCHEMBL18094550 0.83 ADORA3 (0.44) MAPTADORA3RXFP1HIF1AEPAS1
SCHEMBL18094472 0.83 MPL (0.42) MAPTMPLADORA3BRAFTP53
SCHEMBL18094465 0.82 MPL (0.49) MAPTMPLADORA3RXFP1TP53
SCHEMBL18094473 0.81 KDM4E (0.45) MAPTMPLADORA3RXFP1TP53
SCHEMBL18094535 0.81 MAPT (0.44) MAPTMPLADORA3RXFP1LMNA
SCHEMBL18094573 0.81 ADORA3 (0.53) MAPTADORA3TP53
SCHEMBL16718882 0.81 MPL (0.51) MAPTMPLADORA3BRAFTP53

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 LSS 453/4885MAPT 2921/4885MCHR1 1785/4885
US-20170202849-A1 ANTIPARASITIC COMPOUNDS TPP2, TPP1, SERPINB1 LSS 453/4885MAPT 2921/4885MCHR1 1785/4885

“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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