SCHEMBL8737222

SCHEMBL8737222

C=C(C)c1ccc2c(=O)n(-c3cccc(-c4cc(Nc5ccc(C(=O)N6CCOCC6)cn5)c(=O)n(C)n4)c3C)cnc2c1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BTK Q06187 18/20 0.58
KDM4E B2RXH2 1/20 0.43
RAB9A P51151 1/20 0.43
CLK2 P49760 1/20 0.43
TYK2 P29597 1/20 0.42

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
SCHEMBL13893968 0.93 BTK (0.60) BTKKDM4ERAB9ACLK2TYK2
SCHEMBL106616 0.90 BTK (0.66) BTKCLK2
SCHEMBL10193559 0.82 BTK (0.66) BTKKDM4ERAB9ACLK2TYK2
SCHEMBL3804473 0.80 BTK (0.63) BTKKDM4ERAB9ACLK2TYK2
SCHEMBL3660016 0.79 BTK (0.62) BTKKDM4ERAB9ACLK2TYK2
SCHEMBL710063 0.79 BTK (0.75) BTKKDM4ERAB9ACLK2
SCHEMBL16417074 0.77 BTK (0.57) BTKKDM4ERAB9ACLK2TYK2
SCHEMBL19594126 0.76 BTK (0.85) BTKCLK2
SCHEMBL104439 0.76 BTK (0.77) BTKCLK2
SCHEMBL2492566 0.76 BTK (0.60) BTKKDM4ERAB9ACLK2TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129845-A1 Inhibitors of Bruton's Tyrosine Kinase DEWDNEY NOLAN JAMES (HK) 2012-05-24 US disclosed
US-8124604-B2 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2012-02-28 US disclosed
US-20110105479-A1 Inhibitors of Bruton's Tyrosine Kinase DEWDNEY NOLAN JAMES 2011-05-05 US disclosed
US-7902194-B2 Inhibitors of bruton's tyrosine kinase Roche Palo Alto (US) 2011-03-08 US disclosed
US-20090318448-A1 7-Dimethylamino-3-(2-methyl-3-{1-methyl-5-[5-(morpholine-4-carbonyl)-pyridin-2-ylamino]-6-oxo-1,6-dihydro-pyridin-3-yl}-phenyl)-3H-quinazolin-4-one; asthma ; inhibit Btk ROCHE PALO ALTO LLC 2009-12-24 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-20110105479-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN BTK 1/4885KDM4E 743/4885RAB9A 2578/4885
US-20090318448-A1 7-Dimethylamino-3-(2-methyl-3-{1-methyl-5-[5-(morpholine-4-carbonyl)-pyridin-2-ylamino]-6-oxo-1,6-dihydro-pyridin-3-yl}-phenyl)-3H-quinazolin-4-one; asthma ; inhibit Btk BTK, LCK, SYK BTK 1/4885KDM4E 195/4885RAB9A 1900/4885
US-20120129845-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN BTK 1/4885KDM4E 743/4885RAB9A 2578/4885

“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.