SCHEMBL610994

SCHEMBL610994

Cn1nc(Cl)cc(Nc2ccn(CC(C)(C)O)n2)c1=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.36
IRAK4 Q9NWZ3 3/20 0.34
RAF1 P04049 2/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
TTK P33981 3/20 0.33
MAPK1 P28482 1/20 0.32
MDM2 Q00987 1/20 0.30
JAK2 O60674 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
BTK Q06187 1/20 0.30

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
SCHEMBL10186557 0.84 NPC1 (0.37) IGF1RRAF1KMT2ASMN1; SMN2
SCHEMBL708941 0.79 NPC1 (0.42) IGF1RSMN1; SMN2BTK
SCHEMBL1393128 0.77 SYK (0.41) JAK2BTK
SCHEMBL608994 0.73 SYK (0.42) BRD4JAK2BTK
SCHEMBL612207 0.72 P2RX3 (0.38) TTK
SCHEMBL612206 0.72 P2RX3 (0.38) TTK
SCHEMBL2669210 0.69 IGF1R (0.36) IGF1RRAF1BRD4CREBBPMAPK1
SCHEMBL255573 0.69 P2RX3 (0.36) BRD4TTKMEN1KMT2ASMN1; SMN2
SCHEMBL10255882 0.69 BTK (0.36) BRD4JAK2BTK
SCHEMBL608710 0.69 ALDH1A1 (0.43) IGF1RBRD4JAK2BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940741-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2015-01-27 US disclosed
EP-2603500-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2014-11-19 EP disclosed
US-20130178461-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. (US) 2013-07-11 US disclosed
US-8481540-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2013-07-09 US disclosed
EP-2603500-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F.HOFFMANN-LA ROCHE AG (CH) 2013-06-19 EP disclosed
WO-2012020008-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 WO disclosed
US-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN JOSEPH (US) 2012-02-16 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-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN IGF1R 1008/4885IRAK4 28/4885RAF1 148/4885
US-20130178461-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN IGF1R 1008/4885IRAK4 28/4885RAF1 148/4885

“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.