SCHEMBL18044988

SCHEMBL18044988

CC(C)(C)NC(=O)c1ccc(Nc2nc(N3CCC(NC(=O)OC(C)(C)C)C3)ncc2C#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 10/20 0.50
▸ JAK3 P52333 3/20 0.44
▸ LCK P06239 2/20 0.43
▸ SUV39H2 Q9H5I1 2/20 0.43
▸ EGFR P00533 1/20 0.43
▸ KARS1 Q15046 4/20 0.42
▸ AAK1 Q2M2I8 1/20 0.41
▸ LRRK2 Q5S007 1/20 0.41

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
SCHEMBL18044987 1.00 BTK (0.50) BTKJAK3LCKSUV39H2EGFR
SCHEMBL18045014 0.88 BTK (0.63) BTKEGFR
SCHEMBL16676813 0.88 BTK (0.63) BTKEGFR
SCHEMBL18044979 0.87 BTK (0.60) BTKJAK3LCKEGFR
SCHEMBL18044980 0.87 BTK (0.60) BTKJAK3LCKEGFR
SCHEMBL20998689 0.86 BTK (0.57) BTKJAK3LCKEGFR
SCHEMBL16676700 0.86 BTK (0.57) BTKJAK3LCKEGFR
SCHEMBL16671627 0.74 BTK (0.78) BTK
SCHEMBL16676780 0.74 BTK (0.78) BTK
SCHEMBL20998671 0.73 BTK (0.65) BTKEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-06-25 — — US disclosed
EP-3060550-B1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-05-15 — — EP disclosed
US-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-09-15 — — 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 (2 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-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LCK BTK 1/4885JAK3 27/4885LCK 3/4885
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LCK BTK 1/4885JAK3 27/4885LCK 3/4885

“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.

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