SCHEMBL18094467

SCHEMBL18094467

CN(CCN1CCCCC1)c1ccnc(-c2nsc(NC(=O)c3ccc(C(F)(F)F)cc3)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 4/20 0.47
▸ HTR2A P28223 3/20 0.41
▸ HTR2C P28335 3/20 0.41
▸ EPHX2 P34913 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MPL P40238 4/20 0.39
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNB4 P30926 1/20 0.38
▸ CHRNA3 P32297 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ ESR1 P03372 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ SLC6A5 Q9Y345 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ SRPK2 P78362 1/20 0.37
▸ SRPK1 Q96SB4 1/20 0.37
▸ SRPK3 Q9UPE1 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL18094462 0.92 HTR2A (0.44) BRAFHTR2AHTR2CEPHX2MAPT
SCHEMBL18094465 0.86 MPL (0.49) MAPTMPL
SCHEMBL16718882 0.85 MPL (0.51) BRAFMAPTMPLALDH1A1SMN1; SMN2
SCHEMBL18094510 0.83 HTR2A (0.48) HTR2AHTR2CEPHX2ESR1ESR2
SCHEMBL18094520 0.82 MPL (0.45) MAPTMPL
SCHEMBL18094550 0.81 ADORA3 (0.44) MAPT
SCHEMBL18094518 0.78 MPL (0.46) BRAFMAPTMPLKDRSRPK2
SCHEMBL18094557 0.78 MAPT (0.53) MAPTMPL
SCHEMBL18094497 0.77 LSS (0.46) BRAFMAPTMPL
SCHEMBL18094454 0.76 SMN1; SMN2 (0.49) BRAFMAPTMPLKDRSRPK1

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 BRAF 4713/4885HTR2A 2262/4885HTR2C 1284/4885
US-20170202849-A1 ANTIPARASITIC COMPOUNDS TPP2, TPP1, SERPINB1 BRAF 4713/4885HTR2A 2262/4885HTR2C 1284/4885

“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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