SCHEMBL18094473

SCHEMBL18094473

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.45
▸ KDM6B O15054 1/20 0.45
▸ KDM5C P41229 1/20 0.45
▸ KDM4C Q9H3R0 1/20 0.45
▸ KDM2A Q9Y2K7 1/20 0.45
▸ KDM3A Q9Y4C1 1/20 0.45
▸ ADORA3 P0DMS8 4/20 0.45
▸ MAPT P10636 5/20 0.44
▸ POLB P06746 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.42
▸ SCD O00767 1/20 0.42
▸ MPL P40238 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ JMJD6 Q6NYC1 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.41
▸ KDM1A O60341 1/20 0.41
▸ HDAC1 Q13547 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
SCHEMBL18094573 0.88 ADORA3 (0.53) ADORA3MAPTSMN1; SMN2SCDTP53
SCHEMBL18094557 0.86 MAPT (0.53) ADORA3MAPTRXFP1MPLTP53
SCHEMBL16718764 0.84 HTT (0.49) KDM4EADORA3MAPTSMN1; SMN2RXFP1
SCHEMBL18094520 0.83 MPL (0.45) ADORA3MAPTRXFP1MPLTP53
SCHEMBL18094535 0.83 MAPT (0.44) ADORA3MAPTPOLBRXFP1MPL
SCHEMBL18094532 0.82 TRPV1 (0.45) ADORA3MAPTRXFP1MPLTP53
SCHEMBL18094540 0.82 MAPT (0.43) ADORA3MAPTSMN1; SMN2RXFP1SCD
SCHEMBL18094539 0.81 ADORA3 (0.58) ADORA3MAPTSMN1; SMN2RXFP1MPL
SCHEMBL16718882 0.81 MPL (0.51) KDM4EADORA3MAPTSMN1; SMN2MPL
SCHEMBL18094497 0.81 LSS (0.46) ADORA3MAPTRXFP1MPLTP53

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 KDM4E 3999/4885KDM6B 4232/4885KDM5C 2796/4885
US-20170202849-A1 ANTIPARASITIC COMPOUNDS TPP2, TPP1, SERPINB1 KDM4E 3999/4885KDM6B 4232/4885KDM5C 2796/4885

“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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