SCHEMBL16670557

SCHEMBL16670557

CC=CC(=O)N1C=C2CN(c3cnc(Oc4ccc(Oc5cccc(F)c5)cc4)c(C(N)=O)c3)CC2C1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BTK Q06187 15/20 0.38
PARP14 Q460N5 2/20 0.34
PARP10 Q53GL7 2/20 0.34
KCNH2 Q12809 1/20 0.33
SCN3A Q9NY46 1/20 0.33
SRC P12931 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
ABL1 P00519 1/20 0.32

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
SCHEMBL16670388 0.92 BTK (0.38) BTKKCNH2
SCHEMBL16671069 0.91 BTK (0.46) BTKKCNH2
SCHEMBL16670556 0.83 BTK (0.41) BTKPARP14PARP10KCNH2SCN3A
SCHEMBL16670558 0.83 BTK (0.41) BTKPARP14PARP10KCNH2SCN3A
SCHEMBL16670618 0.83 BTK (0.46) BTKKCNH2
SCHEMBL16670720 0.80 BTK (0.38) BTKPARP14PARP10KCNH2SCN3A
SCHEMBL16671365 0.79 BTK (0.44) BTKPARP14PARP10KCNH2SCN3A
SCHEMBL16671364 0.79 BTK (0.44) BTKPARP14PARP10KCNH2SCN3A
SCHEMBL18044917 0.77 BTK (0.48) BTKPARP14PARP10ABL1
SCHEMBL16670429 0.77 BTK (0.48) BTKPARP14PARP10ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-06-25 US disclosed
EP-3060550-B1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-05-15 EP disclosed
US-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-09-15 US disclosed
EP-3060550-A2 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF Merck Patent GmbH (DE) 2016-08-31 EP disclosed
WO-2015061247-A2 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2015-04-30 WO 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-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LCK BTK 1/4885PARP14 908/4885PARP10 966/4885
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LCK BTK 1/4885PARP14 908/4885PARP10 966/4885

“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.