SCHEMBL1432525

SCHEMBL1432525

Cn1cc(Br)nc(Nc2ccc(CN3CCOCC3)cc2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.46
SYK P43405 3/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
FLT3 P36888 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PLK4 O00444 1/20 0.42
BTK Q06187 1/20 0.42
HRH3 Q9Y5N1 2/20 0.42
EGFR P00533 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
AURKA O14965 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
SCHEMBL173564 0.84 IGF1R (0.48) SYKMEN1KMT2AKDM4ETP53
SCHEMBL162007 0.79 BTK (0.58) JAK2BTK
SCHEMBL1067997 0.78 BRD4 (0.38) SYKBTKPDGFRA
SCHEMBL4006827 0.78 BTK (0.56) BTK
SCHEMBL1065221 0.76 ABL1 (0.41) JAK2SYKNPC1RAB9AMEN1
SCHEMBL21275356 0.76 BTK (0.37) ALDH1A1LMNABTKL3MBTL1
SCHEMBL1542134 0.76 AURKA (0.48) JAK2SYKNPC1RAB9AMEN1
SCHEMBL4006823 0.75 BTK (0.57) BTK
SCHEMBL28437733 0.74 KDM4E (0.47) NPC1RAB9AMEN1KMT2AFLT3
SCHEMBL21275223 0.74 LMNA (0.39) JAK2SYKNPC1RAB9AFLT3

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-8536166-B2 Inhibitors of Burton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2013-09-17 US disclosed
US-8536166-B2 Inhibitors of Burton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2013-09-17 US disclosed
EP-2300459-B1 NOVEL PHENYLPYRAZINONES AS KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2013-05-29 EP disclosed
EP-2300459-A1 NOVEL PHENYLPYRAZINONES AS KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-03-30 EP disclosed
US-20100004231-A1 INHIBITORS OF BURTON'S TYROSINE KINASE ROCHE PALO ALTO LLC 2010-01-07 US disclosed
US-20100004231-A1 INHIBITORS OF BURTON'S TYROSINE KINASE ROCHE PALO ALTO LLC 2010-01-07 US disclosed
WO-2010000633-A1 NOVEL PHENYLPYRAZINONES AS KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-07 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 (1 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-20100004231-A1 INHIBITORS OF BURTON'S TYROSINE KINASE BTK, LCK, LYN JAK2 12/4885SYK 4/4885NPC1 4563/4885

“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.