SCHEMBL17660369

SCHEMBL17660369

CB(O)NCc1cc(C)c(-c2ccnc(N)c2[N+](=O)[O-])cc1F

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ DCTPP1 Q9H773 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ MGMT P16455 1/20 0.30

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
SCHEMBL17660368 0.84 NOS3 (0.35) —
SCHEMBL17664694 0.80 GRM2 (0.34) ALDH1A1LMNA
SCHEMBL18131092 0.67 SMN1; SMN2 (0.50) HTTALDH1A1LMNAMAPTKMT2A
SCHEMBL17555748 0.67 MAPT (0.49) HTTNPC1LMNAMAPTKMT2A
SCHEMBL23362140 0.66 MAPT (0.47) HTTALDH1A1LMNAMAPTKMT2A
SCHEMBL30950456 0.65 BTK (0.40) —
SCHEMBL17660343 0.65 BTK (0.40) —
SCHEMBL17664695 0.65 GRM2 (0.36) —
SCHEMBL17660352 0.64 EPHX2 (0.53) —
SCHEMBL17660373 0.64 MAPT (0.42) HTTALDH1A1NPC1LMNAMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-07 — — 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 (1 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-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN HTT 3488/4885ALDH1A1 4687/4885NPC1 3990/4885

“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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