SCHEMBL17645656

SCHEMBL17645656

CC(C)(C)OC(=O)N1CC=C(c2nc3c(Cl)ccnc3[nH]2)CC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 3/20 0.49
CCNT1 O60563 1/20 0.49
GRM1 Q13255 8/20 0.46
GRM5 P41594 8/20 0.46
JAK1 P23458 1/20 0.45
PDK4 Q16654 1/20 0.45
NAMPT P43490 1/20 0.44
CNR1 P21554 2/20 0.44
DGAT2 Q96PD7 1/20 0.44
PDE10A Q9Y233 1/20 0.43

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
SCHEMBL4847387 0.82 GRM1 (0.50) CDK9CCNT1GRM1GRM5JAK1
SCHEMBL5665564 0.81 CDK9 (0.66) CDK9CCNT1
SCHEMBL25361625 0.80 PARP1 (0.51) GRM1GRM5JAK1PDK4NAMPT
SCHEMBL30496036 0.80 PARP1 (0.51) GRM1GRM5JAK1PDK4NAMPT
SCHEMBL17645831 0.78 CDK9 (0.49) CDK9CCNT1GRM1GRM5JAK1
SCHEMBL22392114 0.77 GRM1 (0.56) CDK9CCNT1GRM1GRM5PDK4
SCHEMBL949070 0.76 GRM1 (0.48) CDK9CCNT1GRM1GRM5JAK1
SCHEMBL27035223 0.76 MAPK7 (0.48) CDK9CCNT1
SCHEMBL29845113 0.76 PDK4 (0.53) CDK9CCNT1GRM1GRM5JAK1
SCHEMBL4848600 0.75 GRM1 (0.54) CDK9CCNT1GRM1GRM5JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3204382-B1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-12-01 EP disclosed
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 US disclosed
US-10253023-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-04-09 US disclosed
EP-3204382-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF Merck Patent GmbH (DE) 2017-08-16 EP disclosed
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 (3 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-10253023-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LYN CDK9 450/4885CCNT1 2921/4885GRM1 4402/4885
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN CDK9 429/4885CCNT1 2941/4885GRM1 4393/4885
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN CDK9 450/4885CCNT1 2921/4885GRM1 4402/4885

“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.