SCHEMBL2744249

SCHEMBL2744249

Cc1n[nH]cc1-c1ccc2nc(NC(=O)c3ccc(C(C)(C)CO)cc3)sc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.42
ABL1 P00519 2/20 0.42
KDM4E B2RXH2 4/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HPGD P15428 2/20 0.41
PPARG P37231 1/20 0.41
PTK2B Q14289 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41
NR2E3 Q9Y5X4 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
NPC1 O15118 5/20 0.40
MEN1 O00255 4/20 0.40
RAB9A P51151 4/20 0.40
KMT2A Q03164 4/20 0.40
SCD O00767 9/20 0.39
ALDH1A1 P00352 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL2743880 0.90 MAP3K5 (0.44) MAP3K5ABL1KDM4ENPSR1HPGD
SCHEMBL2744135 0.85 MEN1 (0.48) ABL1KDM4ENPSR1HPGDPPARG
SCHEMBL2743706 0.85 ABL1 (0.40) MAP3K5ABL1KDM4ENPSR1HPGD
SCHEMBL2743624 0.82 CLK1 (0.43) MAP3K5ABL1KDM4ENPSR1HPGD
SCHEMBL2743406 0.81 ABL1 (0.49) MAP3K5ABL1KDM4ENPSR1HPGD
SCHEMBL2743708 0.80 MAP3K5 (0.43) MAP3K5ABL1KDM4ENPSR1HPGD
SCHEMBL2743550 0.80 MAP3K5 (0.46) MAP3K5ABL1KDM4ENPSR1HPGD
SCHEMBL2743723 0.79 SCD (0.42) MAP3K5ABL1KDM4ENPSR1HPGD
SCHEMBL2743498 0.79 MAP3K5 (0.41) MAP3K5ABL1KDM4ENPSR1HPGD
SCHEMBL2743469 0.78 MAP3K5 (0.47) MAP3K5KDM4ENPSR1HPGDPPARG

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-8178555-B2 Apoptosis signal-regulating kinase 1 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 US claimed
US-20090318425-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-24 US claimed
US-8178555-B2 Apoptosis signal-regulating kinase 1 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 US disclosed
US-8178555-B2 Apoptosis signal-regulating kinase 1 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 US disclosed
US-8178555-B2 Apoptosis signal-regulating kinase 1 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 US disclosed
WO-2010008843-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-21 WO disclosed
US-20090318425-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-24 US disclosed
US-20090318425-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-24 US disclosed
US-20090318425-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-24 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 (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-20090318425-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS BAX, BCL2, BAD MAP3K5 8/4885ABL1 675/4885KDM4E 2251/4885

“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.