SCHEMBL19001733

SCHEMBL19001733

CC(C)(C)OC(=O)N1CCC(n2nc(-c3cn[nH]c3)c(C#N)c2N)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 14/20 0.47
JAK1 P23458 1/20 0.43
PIK3CA P42336 2/20 0.41
PIK3CD O00329 1/20 0.40
MTOR P42345 1/20 0.39
PIK3CG P48736 1/20 0.39
ATR Q13535 1/20 0.39
AURKB Q96GD4 1/20 0.39
CTSD P07339 1/20 0.37
CTSE P14091 1/20 0.37
BACE1 P56817 1/20 0.37

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
SCHEMBL22887297 0.96 GPR119 (0.45) GPR119JAK1PIK3CAPIK3CDMTOR
SCHEMBL18996830 0.86 KRAS (0.43) GPR119PIK3CA
SCHEMBL18996832 0.85 BTK (0.41)
SCHEMBL19573625 0.81 BTK (0.56)
SCHEMBL19573627 0.81 BTK (0.49) GPR119CTSDCTSEBACE1
SCHEMBL19002027 0.79 GPR119 (0.42) GPR119CTSDCTSEBACE1
SCHEMBL20007996 0.79 BTK (0.53) GPR119
SCHEMBL19001728 0.78 BTK (0.47) GPR119
SCHEMBL19002024 0.78 BTK (0.48)
SCHEMBL19002011 0.77 JAK2 (0.41) GPR119JAK1PIK3CAMTORPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210009567-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-01-14 US disclosed
US-20200055843-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2020-02-20 US disclosed
US-20190092759-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-03-28 US disclosed
US-20180222893-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-08-09 US disclosed
US-9975882-B2 Heteroaromatic compounds as BTK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-05-22 US disclosed
US-20180030037-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-02-01 US disclosed
US-9815822-B2 2017-11-14 US disclosed
US-20170174663-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-06-22 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 (6 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-20180222893-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LCK GPR119 2616/4885JAK1 23/4885PIK3CA 33/4885
US-20200055843-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LCK GPR119 2616/4885JAK1 23/4885PIK3CA 33/4885
US-20170174663-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LCK GPR119 2616/4885JAK1 23/4885PIK3CA 33/4885
US-20180030037-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LCK GPR119 2616/4885JAK1 23/4885PIK3CA 33/4885
US-20190092759-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LCK GPR119 2616/4885JAK1 23/4885PIK3CA 33/4885
US-20210009567-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LCK GPR119 2616/4885JAK1 23/4885PIK3CA 33/4885

“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.