SCHEMBL17664644

SCHEMBL17664644

OCCn1cc(-c2nc3c(-c4ccc(CNCl)c(F)c4)ccnc3[nH]2)cn1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 19/20 0.49
▸ LCK P06239 2/20 0.41
▸ FEN1 P39748 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
SCHEMBL17660355 0.89 BTK (0.50) BTKLCKFEN1
SCHEMBL17660354 0.84 BTK (0.52) BTKLCK
SCHEMBL24061649 0.83 BTK (0.53) BTKLCK
SCHEMBL17645888 0.81 BTK (0.73) BTKLCK
SCHEMBL17645889 0.80 BTK (0.74) BTKLCK
SCHEMBL24061705 0.80 BTK (0.58) BTKLCK
SCHEMBL24061675 0.79 BTK (0.52) BTKLCK
SCHEMBL17645736 0.78 BTK (0.51) BTKLCK
SCHEMBL24061553 0.77 BTK (0.57) BTKLCK
SCHEMBL17646036 0.77 BTK (0.59) BTKLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016057500-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-14 — — WO disclosed
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 BTK 1/4885LCK 4/4885FEN1 3034/4885

“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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