SCHEMBL18094454

SCHEMBL18094454

CN1CCN(c2ccnc(-c3nsc(NC(=O)c4ccc(C(F)(F)F)cc4)n3)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ BRAF P15056 3/20 0.46
▸ RAF1 P04049 2/20 0.46
▸ MAPT P10636 1/20 0.45
▸ EGFR P00533 1/20 0.43
▸ BTK Q06187 1/20 0.43
▸ LRRK2 Q5S007 1/20 0.43
▸ LCK P06239 2/20 0.43
▸ HCK P08631 2/20 0.43
▸ KDR P35968 2/20 0.43
▸ SRC P12931 1/20 0.42
▸ HRH4 Q9H3N8 1/20 0.41
▸ ALK Q9UM73 1/20 0.41
▸ SRPK1 Q96SB4 1/20 0.41
▸ SCN9A Q15858 1/20 0.41
▸ KIT P10721 1/20 0.41
▸ MPL P40238 1/20 0.41
▸ PHGDH O43175 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ KCNH2 Q12809 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
SCHEMBL18094518 0.92 MPL (0.46) BRAFRAF1MAPTBTKLRRK2
SCHEMBL18094567 0.89 LRRK2 (0.56) SMN1; SMN2BRAFRAF1MAPTBTK
SCHEMBL18094555 0.86 SMN1; SMN2 (0.52) SMN1; SMN2MAPTBTKLRRK2LCK
SCHEMBL18094557 0.83 MAPT (0.53) MAPTMPLABL1
SCHEMBL16718886 0.81 HTR1F (0.45) SMN1; SMN2BRAFMAPTEGFRBTK
SCHEMBL18094459 0.81 SMN1; SMN2 (0.53) SMN1; SMN2MAPTBTKALKSRPK1
SCHEMBL18230518 0.81 TRPV4 (0.46) SMN1; SMN2BRAFRAF1MAPTBTK
SCHEMBL18094573 0.79 ADORA3 (0.53) SMN1; SMN2MAPT
SCHEMBL18094473 0.79 KDM4E (0.45) SMN1; SMN2MAPTMPL
SCHEMBL18094520 0.79 MPL (0.45) MAPTMPL

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 2168/4885BRAF 4713/4885RAF1 4599/4885
US-20170202849-A1 ANTIPARASITIC COMPOUNDS TPP2, TPP1, SERPINB1 SMN1; SMN2 2168/4885BRAF 4713/4885RAF1 4599/4885

“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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