SCHEMBL17645648

SCHEMBL17645648

CC(C)(C)OC(=O)N1CC=C(c2nc3c(-c4ccc(CNC(=O)c5nc(C(C)(C)C)no5)c(F)c4)ccnc3[nH]2)CC1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 16/20 0.54
▸ LCK P06239 2/20 0.54
▸ CDK9 P50750 3/20 0.43
▸ CCNT1 O60563 1/20 0.42
▸ TLR7 Q9NYK1 1/20 0.40

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
SCHEMBL17645683 0.89 BTK (0.57) BTKLCKCDK9CCNT1TLR7
SCHEMBL17645760 0.89 BTK (0.58) BTKLCKCDK9CCNT1TLR7
SCHEMBL17645952 0.88 BTK (0.58) BTKLCKCDK9CCNT1TLR7
SCHEMBL17660351 0.85 BTK (0.53) BTKCDK9CCNT1TLR7
SCHEMBL17645713 0.84 BTK (0.59) BTKLCKCDK9CCNT1
SCHEMBL17645831 0.84 CDK9 (0.49) CDK9CCNT1TLR7
SCHEMBL17645970 0.81 BTK (0.64) BTKLCK
SCHEMBL17645895 0.80 BTK (0.81) BTKLCK
SCHEMBL17645675 0.79 BTK (0.59) BTKLCKCDK9CCNT1
SCHEMBL17645867 0.79 BTK (0.62) BTKLCK

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 BTK 1/4885LCK 4/4885CDK9 450/4885
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN BTK 1/4885LCK 5/4885CDK9 429/4885
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN BTK 1/4885LCK 4/4885CDK9 450/4885

“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.

Send feedback