SCHEMBL9918804

SCHEMBL9918804

COc1ccc(Cn2ccc3c(=O)[nH]nnc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.43
MAPT P10636 5/20 0.43
TP53 P04637 2/20 0.43
LMNA P02545 1/20 0.43
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
P2RX4 Q99571 1/20 0.39
GRM2 Q14416 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL3397235 0.70 HDAC6 (0.61)
SCHEMBL30478855 0.69 PDE9A (0.42) TP53POLBALDH1A1
SCHEMBL5460397 0.69 ABL1 (0.57) MAPTTP53LMNAABL1BCR
SCHEMBL16888474 0.69 ABL1 (0.49) CMA1MAPTTP53LMNAABL1
SCHEMBL17262807 0.69 HDAC1 (0.50) CMA1MAPTTP53LMNAABL1
SCHEMBL29486511 0.69 ABL1 (0.49) CMA1MAPTTP53LMNAABL1
SCHEMBL29486512 0.69 ABL1 (0.49) CMA1MAPTTP53LMNAABL1
SCHEMBL7759057 0.69 MAPT (0.57) CMA1MAPTTP53LMNAGSK3A
SCHEMBL9046752 0.68 ABL1 (0.56) LMNAABL1BCRMEN1KMT2A
SCHEMBL660025 0.68 ABL1 (0.48) CMA1MAPTTP53LMNAABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012106448-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2012-08-09 WO disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 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-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 CMA1 471/4885MAPT 4399/4885TP53 996/4885

“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.