SCHEMBL2304004

SCHEMBL2304004

Cn1cc(Br)c2cnc(N)cc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 2/20 0.43
PIK3CB P42338 1/20 0.42
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
NOS2 P35228 2/20 0.35
EGFR P00533 3/20 0.33
FGFR1 P11362 1/20 0.31
SRC P12931 1/20 0.31
CA9 Q16790 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
BRD4 O60885 2/20 0.30
HASPIN Q8TF76 1/20 0.30
CDK5 Q00535 1/20 0.30
CDK5R1 Q15078 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
SCHEMBL21370615 0.86 PIK3CB (0.46) MAP3K5PIK3CBNOS3NOS1NOS2
Hydrochloric Acid SCHEMBL21329627 0.84 PIK3CB (0.45) MAP3K5PIK3CBNOS3NOS1NOS2
SCHEMBL2297895 0.80 NOS3 (0.45) MAP3K5PIK3CBNOS3NOS1NOS2
SCHEMBL25220625 0.75 MAP3K5 (0.43) MAP3K5HTT
SCHEMBL2303663 0.73 MAP3K5 (0.48) MAP3K5KMT2A
SCHEMBL12348927 0.73 MAP3K5 (0.43) MAP3K5
SCHEMBL27473876 0.70 PRKCI (0.40) MAP3K5HTTKMT2ABRD4
SCHEMBL2296534 0.70 MAP3K5 (0.51) MAP3K5KMT2A
SCHEMBL24756695 0.69 PIK3CB (0.47) MAP3K5PIK3CBNOS3NOS1NOS2
SCHEMBL20687426 0.68 HASPIN (0.46) PIK3CBNOS3NOS1NOS2BRD4

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-9403819-B2 Apoptosis signal-regulating kinase 1 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-02 US disclosed
US-20140329850-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA CALIFORNIA, INC. 2014-11-06 US disclosed
US-8802695-B2 Apoptosis signal-regulating kinase 1 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-12 US disclosed
EP-2531501-B1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2013-11-20 EP disclosed
US-20120316194-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-13 US disclosed
EP-2531501-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2012-12-12 EP disclosed
WO-2011097079-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-11 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 (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-20140329850-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS BAX, BCL2, BAD MAP3K5 8/4885PIK3CB 506/4885NOS3 1804/4885
US-20120316194-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS BAX, BCL2, BAD MAP3K5 8/4885PIK3CB 506/4885NOS3 1804/4885

“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.