SCHEMBL16718886

SCHEMBL16718886

CN1CCC(Oc2ccnc(-c3nsc(NC(=O)c4ccc(C(F)(F)F)cc4)n3)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1F P30939 1/20 0.45
▸ WNT1 P04628 7/20 0.43
▸ GSK3B P49841 7/20 0.43
▸ DYRK1A Q13627 7/20 0.43
▸ CLK2 P49760 1/20 0.43
▸ CLK3 P49761 1/20 0.43
▸ CSF1R P07333 2/20 0.43
▸ SCN9A Q15858 1/20 0.42
▸ SLC6A5 Q9Y345 1/20 0.42
▸ GCK P35557 1/20 0.42
▸ KDR P35968 3/20 0.42
▸ BRAF P15056 2/20 0.42
▸ EGFR P00533 1/20 0.41
▸ LCK P06239 1/20 0.41
▸ SRC P12931 1/20 0.41
▸ TYK2 P29597 1/20 0.41
▸ SYK P43405 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ BTK Q06187 1/20 0.41
▸ MAPK14 Q16539 1/20 0.41

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
SCHEMBL18094492 0.88 GCK (0.42) GCKBRAFSYKMAPT
SCHEMBL18094543 0.86 ADORA3 (0.39) SCN9AMAPT
SCHEMBL18094573 0.83 ADORA3 (0.53) MAPTSMN1; SMN2
SCHEMBL18094454 0.81 SMN1; SMN2 (0.49) SCN9AKDRBRAFEGFRLCK
SCHEMBL18094510 0.80 HTR2A (0.48) KDR
SCHEMBL18094557 0.80 MAPT (0.53) MAPT
SCHEMBL16718764 0.79 HTT (0.49) MAPTSMN1; SMN2
SCHEMBL18094540 0.79 MAPT (0.43) BRAFMAPTSMN1; SMN2
SCHEMBL22583139 0.78 KCNH2 (0.51) KDRBRAFSYK
SCHEMBL18094472 0.77 MPL (0.42) BRAFEGFRMAPTSMN1; SMN2

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 8 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
EP-3082821-A1 ANTIPARASITIC COMPOUNDS Avista Pharma Solutions, Inc. (US) 2016-10-26 — — EP disclosed
US-20160280700-A1 ANTIPARASITIC COMPOUNDS SNAPDRAGON CHEMISTRY, INC. 2016-09-29 — — US disclosed
WO-2015073797-A1 ANTIPARASITIC COMPOUNDS SCYNEXIS INC. (US) 2015-05-21 — — WO 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 HTR1F 1891/4885WNT1 3575/4885GSK3B 3085/4885
US-20170202849-A1 ANTIPARASITIC COMPOUNDS TPP2, TPP1, SERPINB1 HTR1F 1891/4885WNT1 3575/4885GSK3B 3085/4885

“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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