SCHEMBL18094550

SCHEMBL18094550

CN(Cc1ccccc1)c1ccnc(-c2nsc(NC(=O)c3ccc(C(F)(F)F)cc3)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 7/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ HDAC1 Q13547 2/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ TMEM97 Q5BJF2 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ EPAS1 Q99814 1/20 0.42
▸ MTOR P42345 1/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ TRPV1 Q8NER1 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
SCHEMBL18094465 0.86 MPL (0.49) ADORA3RXFP1MAPTTRPV1
SCHEMBL18094520 0.86 MPL (0.45) ADORA3RXFP1MAPTTRPV1
SCHEMBL16718882 0.85 MPL (0.51) ADORA3MAPT
SCHEMBL18094497 0.83 LSS (0.46) ADORA3HDAC1RXFP1MAPTHIF1A
SCHEMBL18094467 0.81 BRAF (0.47) MAPT
SCHEMBL18094539 0.80 ADORA3 (0.58) ADORA3RXFP1MAPTMAPK14TRPV1
SCHEMBL18094462 0.80 HTR2A (0.44) KCNH2MAPTHIF1AEPAS1
SCHEMBL18094532 0.79 TRPV1 (0.45) ADORA3HDAC1RXFP1MAPTTRPV1
SCHEMBL18094557 0.79 MAPT (0.53) ADORA3RXFP1MAPTTRPV1
SCHEMBL18094482 0.78 TRPV1 (0.60) ADORA3RXFP1TRPV1

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 3 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

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 ADORA3 648/4885KCNH2 1666/4885HDAC1 906/4885
US-20170202849-A1 ANTIPARASITIC COMPOUNDS TPP2, TPP1, SERPINB1 ADORA3 648/4885KCNH2 1666/4885HDAC1 906/4885

“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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