SCHEMBL18094555

SCHEMBL18094555

CN1CCN(c2ccc(-c3nsc(NC(=O)c4ccc(C(F)(F)F)cc4)n3)nc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ LCK P06239 4/20 0.47
▸ KDR P35968 4/20 0.47
▸ HCK P08631 2/20 0.47
▸ SRC P12931 2/20 0.47
▸ STAT3 P40763 1/20 0.45
▸ BTK Q06187 1/20 0.44
▸ LRRK2 Q5S007 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ RAB9A P51151 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ TEK Q02763 2/20 0.41
▸ MAPK14 Q16539 2/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ KIT P10721 1/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CCND3 P30281 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
SCHEMBL18094571 0.91 LRRK2 (0.46) SMN1; SMN2KDRSTAT3LRRK2MAPT
SCHEMBL18094563 0.90 LRRK2 (0.45) SMN1; SMN2KDRSTAT3LRRK2MAPT
SCHEMBL18094562 0.89 MAOB (0.45) SMN1; SMN2STAT3LRRK2MAPTKCNH2
SCHEMBL18094547 0.89 LRRK2 (0.57) SMN1; SMN2STAT3BTKLRRK2MAPT
SCHEMBL18094531 0.88 DEGS1 (0.44) SMN1; SMN2STAT3LRRK2MAPT
SCHEMBL18094509 0.87 GPR119 (0.47) SMN1; SMN2BTKLRRK2MAPTJAK3
SCHEMBL18094454 0.86 SMN1; SMN2 (0.49) SMN1; SMN2LCKKDRHCKSRC
SCHEMBL18094484 0.82 PTGS1 (0.51) STAT3MAPT
SCHEMBL18094459 0.82 SMN1; SMN2 (0.53) SMN1; SMN2BTKMAPTRAB9A
SCHEMBL18094576 0.81 ADORA3 (0.54) STAT3MAPT

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 SMN1; SMN2 2168/4885LCK 3799/4885KDR 4828/4885
US-20170202849-A1 ANTIPARASITIC COMPOUNDS TPP2, TPP1, SERPINB1 SMN1; SMN2 2168/4885LCK 3799/4885KDR 4828/4885

“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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