SCHEMBL19002011

SCHEMBL19002011

CC(C)(C)OC(=O)N1CCC(n2nc(-c3cnn(COCC[Si](C)(C)C)c3)c(C#N)c2N)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.41
JAK3 P52333 5/20 0.41
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
PIK3CG P48736 1/20 0.38
ATR Q13535 1/20 0.38
AURKB Q96GD4 1/20 0.38
GPR119 Q8TDV5 9/20 0.37
JAK1 P23458 3/20 0.36
RET P07949 1/20 0.36
TNK2 Q07912 1/20 0.35
BTK Q06187 2/20 0.35
TEC P42680 1/20 0.35
TXK P42681 1/20 0.35
BMX P51813 1/20 0.35
TYK2 P29597 2/20 0.35

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
SCHEMBL19002026 0.90 JAK2 (0.42) JAK2JAK3PIK3CAMTORPIK3CG
SCHEMBL19836024 0.90 JAK2 (0.42) JAK2JAK3PIK3CAMTORPIK3CG
SCHEMBL18996824 0.89 BTK (0.42) BTKTECTXKBMX
SCHEMBL18996828 0.88 BTK (0.47) BTKTECTXKBMX
SCHEMBL19836438 0.85 JAK2 (0.37) JAK2JAK3JAK1BTKTEC
SCHEMBL19001728 0.83 BTK (0.47) JAK2JAK3GPR119TNK2BTK
SCHEMBL19002024 0.82 BTK (0.48) JAK2JAK3BTKTECTXK
SCHEMBL19002028 0.81 BTK (0.45) JAK2JAK3BTKTECTXK
SCHEMBL19002012 0.81 BTK (0.51) BTKTECTXKBMX
SCHEMBL19001730 0.81 BTK (0.51) BTKTECTXKBMX

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
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-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 (4 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 JAK2 17/4885JAK3 66/4885PIK3CA 33/4885
US-20200055843-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LCK JAK2 17/4885JAK3 66/4885PIK3CA 33/4885
US-20170174663-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LCK JAK2 17/4885JAK3 66/4885PIK3CA 33/4885
US-20190092759-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LCK JAK2 17/4885JAK3 66/4885PIK3CA 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.