SCHEMBL4569300

SCHEMBL4569300

COc1ccc(Cn2c([C@H](C)N)cc3ccccc3c2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
P2RX4 Q99571 1/20 0.51
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 3/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
BLM P54132 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPK1 P28482 1/20 0.46
PDE1A P54750 1/20 0.46
PDE1B Q01064 1/20 0.46
PDE1C Q14123 1/20 0.46
CASP3 P42574 1/20 0.45
THRB P10828 1/20 0.45
ATM Q13315 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL14718403 0.83 CHRM5 (0.44) TDP1L3MBTL1P2RX4MAPTKDM4E
SCHEMBL179604 0.83 CHRM5 (0.44) TDP1L3MBTL1P2RX4MAPTKDM4E
SCHEMBL31014731 0.81 TDP1 (0.57) TDP1L3MBTL1P2RX4KMT2AMEN1
SCHEMBL2428892 0.81 TDP1 (0.54) TDP1L3MBTL1P2RX4KMT2AMEN1
SCHEMBL1035993 0.78 ALDH1A1 (0.53) TDP1L3MBTL1P2RX4KMT2AMEN1
SCHEMBL31015384 0.77 TDP1 (0.53) TDP1L3MBTL1P2RX4KMT2AMEN1
SCHEMBL31017423 0.75 MAPT (0.48) TDP1L3MBTL1P2RX4KMT2AMEN1
SCHEMBL31015107 0.74 TDP1 (0.49) TDP1L3MBTL1P2RX4KMT2AMEN1
SCHEMBL31014917 0.73 KMT2A (0.60) TDP1L3MBTL1P2RX4KMT2AMEN1
SCHEMBL14649357 0.72 PDE1B (0.43) MAPTKDM4EALDH1A1HPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9388183-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2016-07-12 US disclosed
US-20150031672-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2015-01-29 US disclosed
US-8901133-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
WO-2012064973-A2 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. (US) 2012-05-18 WO disclosed
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2012-05-17 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-20150031672-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB TDP1 890/4885L3MBTL1 4198/4885P2RX4 1456/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB TDP1 890/4885L3MBTL1 4198/4885P2RX4 1456/4885

“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.