SCHEMBL18094557

SCHEMBL18094557

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

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.53
▸ ADORA3 P0DMS8 5/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ SORT1 Q99523 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ MPL P40238 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ TRPV1 Q8NER1 1/20 0.43
▸ ABL1 P00519 1/20 0.43
▸ BCR P11274 1/20 0.43
▸ TP53 P04637 2/20 0.43
▸ MCHR1 Q99705 1/20 0.43

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
SCHEMBL18094535 0.86 MAPT (0.44) MAPTADORA3RXFP1MPLLMNA
SCHEMBL18094573 0.86 ADORA3 (0.53) MAPTADORA3NPC1RAB9ATP53
SCHEMBL18094473 0.86 KDM4E (0.45) MAPTADORA3RXFP1MPLLMNA
SCHEMBL18094520 0.86 MPL (0.45) MAPTADORA3RXFP1MPLLMNA
SCHEMBL18094532 0.85 TRPV1 (0.45) MAPTADORA3RXFP1MPLLMNA
SCHEMBL18094539 0.84 ADORA3 (0.58) MAPTADORA3RXFP1NPC1RAB9A
SCHEMBL18094497 0.83 LSS (0.46) MAPTADORA3RXFP1MPLLMNA
SCHEMBL18094518 0.83 MPL (0.46) MAPTADORA3MPLLMNA
SCHEMBL18094454 0.83 SMN1; SMN2 (0.49) MAPTMPLABL1
SCHEMBL18094576 0.83 ADORA3 (0.54) MAPTADORA3RXFP1LMNATRPV1

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 MAPT 2921/4885ADORA3 648/4885RXFP1 4100/4885
US-20170202849-A1 ANTIPARASITIC COMPOUNDS TPP2, TPP1, SERPINB1 MAPT 2921/4885ADORA3 648/4885RXFP1 4100/4885

“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.

Send feedback