SCHEMBL3055050

SCHEMBL3055050

Cn1cc(Br)cc(N(C(=O)OC(C)(C)C)c2ccc(C(=O)N3CCOCC3)cn2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
BRD9 Q9H8M2 1/20 0.40
ALDH1A1 P00352 2/20 0.39
BTK Q06187 4/20 0.39
CLK2 P49760 1/20 0.38
GLA P06280 1/20 0.38
KMT2A Q03164 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37
KDM4E B2RXH2 2/20 0.37
RAB9A P51151 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
TAF1 P21675 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
ALPL P05186 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GRM5 P41594 1/20 0.36

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
SCHEMBL17157278 0.72 P4HTM (0.36) GLAKDM4E
SCHEMBL29742001 0.72 BTK (0.59) SMN1; SMN2ALDH1A1BTKCLK2KDM4E
SCHEMBL709078 0.72 BTK (0.59) SMN1; SMN2ALDH1A1BTKCLK2KDM4E
SCHEMBL16024597 0.71 SMN1; SMN2 (0.46) SMN1; SMN2BRD9ALDH1A1BTKGLA
SCHEMBL19869650 0.68 BRD4 (0.40)
SCHEMBL16652102 0.67 BRD4 (0.47) KMT2ARAB9APOLB
SCHEMBL17688887 0.66 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1KMT2AHRH3KDM4E
SCHEMBL27825703 0.66 KDM4E (0.54) SMN1; SMN2ALDH1A1BTKKDM4ERAB9A
SCHEMBL19220761 0.66 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1HRH3KDM4ERAB9A
SCHEMBL16650495 0.65 BRD4 (0.38) GLAKMT2AKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2925323-B1 AN INHIBITOR OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2017-05-17 EP disclosed
EP-2925323-B1 AN INHIBITOR OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2017-05-17 EP disclosed
EP-2403846-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2016-11-02 EP disclosed
US-20150290192-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2015-10-15 US disclosed
US-20150290192-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2015-10-15 US disclosed
US-20150290192-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2015-10-15 US disclosed
WO-2014083026-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2014-06-05 WO disclosed
US-8299077-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2012-10-30 US disclosed
US-8299077-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2012-10-30 US disclosed
US-8299077-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2012-10-30 US disclosed
US-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN 2010-09-02 US disclosed
US-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN 2010-09-02 US disclosed
US-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN 2010-09-02 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-20150290192-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, ABL1 SMN1; SMN2 2775/4885BRD9 245/4885ALDH1A1 3955/4885
US-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN SMN1; SMN2 4219/4885BRD9 491/4885ALDH1A1 4625/4885

“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.