SCHEMBL18996802

SCHEMBL18996802

CC#CC(=O)N1CC2(CC(n3nc(-c4cnn(Cc5cc(C)cc(C)c5)c4)c(C(N)=O)c3N)C2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 1.00
TEC P42680 10/20 0.76
TXK P42681 10/20 0.76
BMX P51813 10/20 0.76

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
SCHEMBL18996809 0.94 BTK (1.00) BTKTECTXKBMX
SCHEMBL18996807 0.91 BTK (1.00) BTKTECTXKBMX
SCHEMBL18996811 0.90 BTK (1.00) BTKTECTXKBMX
SCHEMBL18996800 0.89 BTK (1.00) BTKTECTXKBMX
SCHEMBL19001909 0.88 BTK (0.79) BTKTECTXKBMX
SCHEMBL18996812 0.87 BTK (1.00) BTKTECTXKBMX
SCHEMBL18996808 0.86 BTK (1.00) BTKTECTXKBMX
SCHEMBL18996804 0.85 BTK (1.00) BTKTECTXKBMX
SCHEMBL18996792 0.84 BTK (1.00) BTKTECTXKBMX
SCHEMBL18996763 0.83 BTK (1.00) 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 13 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-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-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-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-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
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 BTK 1/4885TEC 7/4885TXK 263/4885
US-20200055843-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LCK BTK 1/4885TEC 7/4885TXK 263/4885
US-20170174663-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LCK BTK 1/4885TEC 7/4885TXK 263/4885
US-20180030037-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LCK BTK 1/4885TEC 7/4885TXK 263/4885
US-20190092759-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LCK BTK 1/4885TEC 7/4885TXK 263/4885
US-20210009567-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LCK BTK 1/4885TEC 7/4885TXK 263/4885

“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.