SCHEMBL16670238

SCHEMBL16670238

CC(C)(C)OC(=O)N1CC2=CN(c3cnc(Oc4ccc(Oc5cccc(F)c5)cc4)c(C(N)=O)c3)CC2C1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.37
BTK Q06187 4/20 0.37
PARP10 Q53GL7 3/20 0.36
PARP14 Q460N5 2/20 0.36
HPGDS O60760 2/20 0.35
KCNH2 Q12809 1/20 0.35
SCN3A Q9NY46 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GHSR Q92847 1/20 0.34

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
SCHEMBL16670760 0.92 BTK (0.41) TP53BTKPARP10PARP14HPGDS
SCHEMBL16670703 0.92 TP53 (0.37) TP53HPGDSMEN1KMT2AGHSR
SCHEMBL16670226 0.84 TDP1 (0.38) TP53BTKMEN1KMT2A
SCHEMBL16670236 0.83 BTK (0.42) TP53BTKPARP10PARP14KMT2A
SCHEMBL16676710 0.77 CYP11B2 (0.41) PARP10PARP14
SCHEMBL16670903 0.76 PARP1 (0.45) BTK
SCHEMBL16670047 0.76 PARP1 (0.44) BTK
SCHEMBL16671105 0.75 ALDH1A1 (0.48) TP53BTKHPGDS
SCHEMBL16671643 0.75 PARP1 (0.43) BTKPARP10PARP14HPGDS
SCHEMBL16671438 0.75 BTK (0.48) BTK

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 TP53 1292/4885BTK 1/4885PARP10 966/4885
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LCK TP53 1292/4885BTK 1/4885PARP10 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.