SCHEMBL979102

SCHEMBL979102

NC(=O)c1ncc(C2CC2)c(-c2nnc[nH]2)c1-c1ccccn1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
SYK P43405 4/20 0.33
NTRK1 P04629 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA9 Q16790 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PDE10A Q9Y233 1/20 0.32
PDK2 Q15119 1/20 0.31
PDK4 Q16654 1/20 0.31
PARP1 P09874 1/20 0.31
DHODH Q02127 1/20 0.31
PARP2 Q9UGN5 1/20 0.31

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
SCHEMBL978876 0.87 IKBKB (0.33) SYKBTKCHEK2
SCHEMBL985188 0.84 PARP1 (0.38) SYKNTRK1ALDH1A1PDK2PDK4
SCHEMBL977785 0.82 PDK2 (0.34) MEN1LMNAPOLBKMT2ASYK
SCHEMBL15153029 0.80 IKBKB (0.35) BTKCHEK2
SCHEMBL15410051 0.75 SQOR (0.33) MEN1LMNAPOLBKMT2APARP1
SCHEMBL986588 0.71 CSNK1A1 (0.46) ALDH1A1PDK2PARP1DHODHPARP2
SCHEMBL986590 0.70 CSNK1A1 (0.47) ALDH1A1PDK2PARP1DHODHPARP2
SCHEMBL980674 0.69 MAP2 (0.32) SYK
SCHEMBL986288 0.69 FYN (0.38) SYKNTRK1CHEK2ABL1
SCHEMBL20544704 0.68 BTK (0.44) NTRK1L3MBTL1PARP1DHODHPARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-01-13 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-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, AIFM1 MEN1 3305/4885LMNA 1002/4885POLB 3948/4885

“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.