SCHEMBL6890314

SCHEMBL6890314

CCc1n[nH]c2c1c(N1CCS(=O)(=O)CC1)nc1c(-c3cnc4ccccc4c3)cnn12

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 2/20 0.35
WDR77 Q9BQA1 2/20 0.35
HSP90AA1 P07900 5/20 0.34
PDE10A Q9Y233 1/20 0.33
PTK2 Q05397 1/20 0.32
PARP10 Q53GL7 1/20 0.32
PARP11 Q9NR21 1/20 0.32
DYRK1A Q13627 1/20 0.32
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32
HTR3A P46098 1/20 0.31
HDAC1 Q13547 1/20 0.31
EGFR P00533 3/20 0.31
FGFR2 P21802 3/20 0.31
PDGFRB P09619 1/20 0.31
PDGFRA P16234 1/20 0.31
BRD4 O60885 1/20 0.30
CREBBP Q92793 1/20 0.30

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
SCHEMBL6890317 0.89 PARP10 (0.35) PRMT5WDR77HSP90AA1PDE10APARP10
SCHEMBL10328266 0.85 HSP90AA1 (0.36) PRMT5WDR77HSP90AA1PARP10PARP11
SCHEMBL6893626 0.79 PDGFRB (0.38) PDE10APARP10PARP11PIK3CAMTOR
SCHEMBL7881257 0.77 PIK3CA (0.35) HSP90AA1PIK3CAMTORHDAC1EGFR
SCHEMBL16104617 0.77 HSP90AA1 (0.35) HSP90AA1PDE10APARP10PARP11PIK3CA
SCHEMBL2686645 0.76 PIK3CA (0.36) HSP90AA1PIK3CAMTORHDAC1EGFR
SCHEMBL6892192 0.76 PIK3CA (0.38) HSP90AA1PARP10PARP11PIK3CAMTOR
SCHEMBL6891750 0.76 EGFR (0.36) PDE10APIK3CAHTR3AHDAC1EGFR
SCHEMBL10238738 0.75 AKR1C3 (0.36) HSP90AA1PIK3CAMTOREGFRFGFR2
SCHEMBL6893608 0.75 MAP4K4 (0.38) PIK3CAMTORHDAC1EGFRFGFR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2448942-B1 FUSED TRICYCLIC COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME (US) 2014-09-24 EP disclosed
US-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-07-12 US disclosed
US-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-07-12 US disclosed
US-20110054013-A1 TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME CORP. 2011-03-03 US disclosed
US-20110054013-A1 TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME CORP. 2011-03-03 US disclosed
WO-2011002887-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS SCHERING CORPORATION (US) 2011-01-06 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-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MTOR, RICTOR, RPTOR PRMT5 1170/4885WDR77 469/4885HSP90AA1 2279/4885
US-20110054013-A1 TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS BACE1, BACE2, PSEN1 PRMT5 2065/4885WDR77 1105/4885HSP90AA1 2012/4885

“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.