SCHEMBL7921168

SCHEMBL7921168

COc1cccc(/C(=N\[S+]([O-])C(C)(C)C)c2cccnc2C#N)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
HSP90AA1 P07900 1/20 0.37
KCNH2 Q12809 1/20 0.37
PLCG1 P19174 1/20 0.37
HTT P42858 3/20 0.36
ABL1 P00519 3/20 0.36
BCR P11274 3/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MITF O75030 1/20 0.36
AGTR1 P30556 1/20 0.36
OPRK1 P41145 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
DYRK1A Q13627 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35

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
SCHEMBL3240637 1.00 ALDH1A1 (0.38) ALDH1A1HPGDMEN1KMT2AHSP90AA1
SCHEMBL3240641 1.00 ALDH1A1 (0.38) ALDH1A1HPGDMEN1KMT2AHSP90AA1
SCHEMBL3240648 1.00 ALDH1A1 (0.38) ALDH1A1HPGDMEN1KMT2AHSP90AA1
SCHEMBL3243574 0.87 BRAF (0.38) ALDH1A1HPGDMEN1KMT2AHTT
SCHEMBL7922669 0.87 BRAF (0.38) ALDH1A1HPGDMEN1KMT2AHTT
SCHEMBL3243568 0.87 BRAF (0.38) ALDH1A1HPGDMEN1KMT2AHTT
SCHEMBL3243570 0.87 BRAF (0.38) ALDH1A1HPGDMEN1KMT2AHTT
SCHEMBL7915963 0.86 KMT2A (0.34) MEN1KMT2APLCG1HTTLMNA
SCHEMBL3242716 0.86 KMT2A (0.34) MEN1KMT2APLCG1HTTLMNA
SCHEMBL3242715 0.86 KMT2A (0.34) MEN1KMT2APLCG1HTTLMNA

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
US-20100125087-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 US disclosed
US-20100125087-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 US disclosed
WO-2010056195-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 WO disclosed
WO-2010056194-A1 5H-PYRROLO [ 3, 4-B] PYRIDIN DERIVATIVES AND THEIR USE ASTRAZENECA AB (SE) 2010-05-20 WO disclosed
US-20100125081-A1 NEW COMPOUNDS 574 ASTRAZENECA AB (SE) 2010-05-20 US disclosed
US-20100125081-A1 NEW COMPOUNDS 574 ASTRAZENECA AB (SE) 2010-05-20 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 (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-20100125081-A1 NEW COMPOUNDS 574 PSEN1, PSEN2, BACE1 ALDH1A1 4085/4885HPGD 2006/4885MEN1 2636/4885
US-20100125087-A1 NEW COMPOUNDS 575 PSEN1, PSEN2, BACE1 ALDH1A1 4121/4885HPGD 1847/4885MEN1 2423/4885

“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.