SCHEMBL4090512

SCHEMBL4090512

CC(O)(C#CCNC(=O)Cc1cccc(-c2cc(Nc3ccc(C(=O)N4CCOCC4)cn3)c3nccn3c2)c1)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BTK Q06187 8/20 0.45
CLK2 P49760 1/20 0.42
SYK P43405 8/20 0.40
KDM4E B2RXH2 1/20 0.40
RAB9A P51151 1/20 0.40
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
TYK2 P29597 1/20 0.38
SRC P12931 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
SCHEMBL4093100 0.93 BTK (0.47) BTKCLK2SYKKDM4ERAB9A
SCHEMBL13771455 0.90 BTK (0.47) BTKCLK2SYKKDM4ERAB9A
SCHEMBL13821416 0.88 BTK (0.49) BTKCLK2SYKKDM4ERAB9A
SCHEMBL4091473 0.85 BTK (0.46) BTKCLK2SYKKDM4ERAB9A
SCHEMBL4095175 0.85 BTK (0.48) BTKCLK2SYKKDM4ERAB9A
SCHEMBL4085814 0.84 BTK (0.45) BTKCLK2SYKKDM4ERAB9A
SCHEMBL4086699 0.84 BTK (0.50) BTKCLK2SYKKDM4ERAB9A
SCHEMBL4080642 0.84 BTK (0.50) BTKCLK2SYKKDM4ERAB9A
SCHEMBL4085821 0.84 BTK (0.45) BTKCLK2SYKKDM4ERAB9A
SCHEMBL4096779 0.84 BTK (0.47) BTKCLK2SYKKDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190135836-A1 HETEROCYCLIC KINASE INHIBITORS ABBVIE INC (US) 2019-05-09 US claimed
US-20170114077-A1 HETEROCYCLIC KINASE INHIBITORS ABBVIE INC. 2017-04-27 US claimed
US-20090186898-A1 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-07-23 US claimed
US-20190135836-A1 HETEROCYCLIC KINASE INHIBITORS ABBVIE INC (US) 2019-05-09 US disclosed
US-10280184-B2 Heterocyclic kinase inhibitors ABBVIE INC. (US) 2019-05-07 US disclosed
US-20170114077-A1 HETEROCYCLIC KINASE INHIBITORS ABBVIE INC. 2017-04-27 US disclosed
US-8426441-B2 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2013-04-23 US disclosed
US-8426441-B2 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2013-04-23 US disclosed
US-8426441-B2 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2013-04-23 US disclosed
US-20090186898-A1 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-07-23 US disclosed
US-20090186898-A1 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-07-23 US disclosed
WO-2009077334-A1 NOVEL IMIDAZO[1,2-A]PYRIDINE AND IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 WO 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-20090186898-A1 Inhibitors of bruton's tyrosine kinase BTK, SYK, LYN BTK 1/4885CLK2 351/4885SYK 2/4885
US-10280184-B2 Heterocyclic kinase inhibitors MAP3K1, MAP3K20, MAP3K19 BTK 78/4885CLK2 361/4885SYK 482/4885
US-20170114077-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K1, MAP3K20, MAP3K19 BTK 78/4885CLK2 361/4885SYK 482/4885
US-20190135836-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K1, MAP3K20, MAP3K19 BTK 81/4885CLK2 336/4885SYK 486/4885

“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.