SCHEMBL18094563

SCHEMBL18094563

O=C(Nc1nc(-c2ccc(N3CCCCC3)cn2)ns1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 1/20 0.45
▸ MAPT P10636 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ MPL P40238 1/20 0.44
▸ KDR P35968 1/20 0.43
▸ SRPK2 P78362 1/20 0.43
▸ SRPK1 Q96SB4 1/20 0.43
▸ SRPK3 Q9UPE1 1/20 0.43
▸ USP36 Q9P275 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ STAT3 P40763 2/20 0.41
▸ DEGS1 O15121 2/20 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
SCHEMBL18094571 0.99 LRRK2 (0.46) LRRK2MAPTKDM4EMEN1KMT2A
SCHEMBL18094555 0.90 SMN1; SMN2 (0.52) LRRK2MAPTMEN1KMT2AKDR
SCHEMBL18094547 0.90 LRRK2 (0.57) LRRK2MAPTSMN1; SMN2STAT3LMNA
SCHEMBL18094562 0.90 MAOB (0.45) LRRK2MAPTMPLSMN1; SMN2STAT3
SCHEMBL18094531 0.90 DEGS1 (0.44) LRRK2MAPTMPLSMN1; SMN2STAT3
SCHEMBL18094509 0.85 GPR119 (0.47) LRRK2MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL18094518 0.84 MPL (0.46) LRRK2MAPTKDM4EMEN1KMT2A
SCHEMBL18094484 0.84 PTGS1 (0.51) MAPTMPLSTAT3DEGS1MCHR1
SCHEMBL16718785 0.81 LMNA (0.53) MAPTMPLSTAT3DEGS1PTGS1
SCHEMBL18094576 0.80 ADORA3 (0.54) MAPTKDM4ETP53STAT3DEGS1

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 LRRK2 3698/4885MAPT 2921/4885KDM4E 3999/4885
US-20170202849-A1 ANTIPARASITIC COMPOUNDS TPP2, TPP1, SERPINB1 LRRK2 3698/4885MAPT 2921/4885KDM4E 3999/4885

“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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