SCHEMBL2298099

SCHEMBL2298099

CCn1ccc2cnc(N)cc21

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 1/20 0.49
MAP3K5 Q99683 3/20 0.43
PDPK1 O15530 1/20 0.40
FGFR1 P11362 1/20 0.39
SRC P12931 1/20 0.39
NOS3 P29474 3/20 0.37
NOS1 P29475 3/20 0.37
NOS2 P35228 3/20 0.37
TTBK1 Q5TCY1 1/20 0.37
MPO P05164 1/20 0.36
HTR2A P28223 3/20 0.34
HTR2C P28335 3/20 0.34
CYP19A1 P11511 2/20 0.34
LNPEP Q9UIQ6 1/20 0.34

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
SCHEMBL22822736 0.77 MAP3K5 (0.41) MAP3K5HTR2AHTR2CCYP19A1LNPEP
SCHEMBL23346741 0.77 PIK3CB (0.73) PIK3CBPDPK1FGFR1SRCNOS3
SCHEMBL29776556 0.75 PIK3CB (0.39) PIK3CBPDPK1FGFR1SRC
SCHEMBL26638261 0.74 TTBK1 (0.44) PIK3CBPDPK1FGFR1SRCNOS3
SCHEMBL3345985 0.73 PRKCI (0.44) HTR2AHTR2C
SCHEMBL26596987 0.72 PIK3CB (0.49) PIK3CBPDPK1FGFR1SRCNOS3
SCHEMBL26618797 0.72 PIK3CB (0.49) PIK3CBPDPK1FGFR1SRCNOS3
SCHEMBL6640906 0.72 BTK (0.61) PIK3CBFGFR1SRC
SCHEMBL2298868 0.71 MAP3K5 (0.50) MAP3K5
SCHEMBL28017755 0.71 MAP3K5 (0.61) MAP3K5SRC

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 9 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
CN-102834393-B Apoptosis signal-regulating kinase 1 inhibitors TAKEDA PHARMACEUTICAL 2015-07-22 CN 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
CN-102834393-A Apoptosis signal-regulating kinase 1 inhibitors TAKEDA PHARMACEUTICAL CORP 2012-12-19 CN 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 PIK3CB 506/4885MAP3K5 8/4885PDPK1 102/4885
US-20120316194-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS BAX, BCL2, BAD PIK3CB 506/4885MAP3K5 8/4885PDPK1 102/4885

“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.