SCHEMBL16670236

SCHEMBL16670236

CC(C)(C)OC(=O)N1CC2CN(c3cnc(Oc4ccc(Oc5cccc(F)c5)cc4)c(C(N)=O)c3)CC2C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.42
PARP14 Q460N5 2/20 0.39
PARP10 Q53GL7 2/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
TP53 P04637 1/20 0.37
CHRM1 P11229 1/20 0.37
ABL1 P00519 1/20 0.36
GHSR Q92847 1/20 0.36
LIPE Q05469 2/20 0.36
GPR119 Q8TDV5 1/20 0.36
USP2 O75604 1/20 0.36
KMT2A Q03164 1/20 0.36
AOC3 Q16853 1/20 0.36

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
SCHEMBL16670759 0.92 BTK (0.49) BTKLIPEGPR119
SCHEMBL16670702 0.91 ABL1 (0.38) BTKHDAC1HDAC2TP53CHRM1
SCHEMBL16670556 0.85 BTK (0.41) BTKPARP14PARP10CHRM1ABL1
SCHEMBL16670558 0.85 BTK (0.41) BTKPARP14PARP10CHRM1ABL1
SCHEMBL16671067 0.85 BTK (0.51) BTKPARP14PARP10
SCHEMBL20998697 0.84 BTK (0.40) BTKPARP14PARP10CHRM1ABL1
SCHEMBL16670716 0.84 KCNH2 (0.41) BTKPARP14PARP10ABL1USP2
SCHEMBL16676710 0.83 CYP11B2 (0.41) PARP14PARP10HDAC1HDAC2USP2
SCHEMBL16670238 0.83 TP53 (0.37) BTKPARP14PARP10TP53GHSR
SCHEMBL16670224 0.82 BTK (0.43) BTKLIPEGPR119

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 10 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
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
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
US-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-09-15 US 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
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.