SCHEMBL10119947

SCHEMBL10119947

CC(N)c1nc2ccccn2c(=O)c1-c1ccccc1S

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 12/20 0.43
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 4/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
THRB P10828 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL890536 0.84 PIK3CD (0.59) PIK3CDHSP90AA1HSP90AB1ALDH1A1KDM4E
SCHEMBL10120340 0.77 PIK3CD (0.36) PIK3CDHSP90AA1HSP90AB1ALDH1A1KDM4E
SCHEMBL3098056 0.77 KDM4E (0.45) PIK3CDHSP90AA1HSP90AB1ALDH1A1KDM4E
SCHEMBL10119948 0.74 PIK3CD (0.80) PIK3CD
SCHEMBL890545 0.70 KDM4E (0.44) PIK3CDHSP90AA1HSP90AB1ALDH1A1KDM4E
SCHEMBL890481 0.69 PIK3CD (0.54) PIK3CDHSP90AA1HSP90AB1ALDH1A1KDM4E
SCHEMBL3962921 0.68 KDM4E (0.47) HSP90AA1HSP90AB1ALDH1A1KDM4EGLA
SCHEMBL17718397 0.68 USP7 (0.47) PIK3CDHSP90AA1HSP90AB1ALDH1A1KDM4E
SCHEMBL16340515 0.68 PIK3CD (0.48) PIK3CDALDH1A1KDM4EGLAGAA
SCHEMBL3962874 0.68 ENPP2 (0.52) PIK3CDALDH1A1KDM4EGLAGAA

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-20120083502-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-05 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-20120083502-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 PIK3CD 24/4885HSP90AA1 1973/4885HSP90AB1 1328/4885

“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.