SCHEMBL6663570

SCHEMBL6663570

Cc1c(C)n(C)c2ncccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
NPC1 O15118 1/20 0.47
HSP90AA1 P07900 1/20 0.47
TNKS O95271 1/20 0.41
SLC6A2 P23975 1/20 0.39
HTT P42858 1/20 0.39
EGFR P00533 1/20 0.38
SRC P12931 1/20 0.38
HPGD P15428 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTR6 P50406 2/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
DYRK1A Q13627 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
CYP11B2 P19099 1/20 0.36

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
SCHEMBL25940658 0.81 FEN1 (0.46) FEN1L3MBTL1NPC1HSP90AA1TNKS
SCHEMBL1609990 0.81 FEN1 (0.56) FEN1L3MBTL1NPC1HSP90AA1TNKS
SCHEMBL16381211 0.77 FEN1 (0.43) FEN1L3MBTL1NPC1HSP90AA1TNKS
SCHEMBL13787017 0.77 CYP11B2 (0.51) FEN1L3MBTL1NPC1HSP90AA1TNKS
SCHEMBL16381206 0.75 FEN1 (0.49) FEN1L3MBTL1NPC1HSP90AA1TNKS
SCHEMBL28549707 0.75 PARP1 (0.44) FEN1L3MBTL1NPC1HSP90AA1HPGD
SCHEMBL15432334 0.75 FEN1 (0.53) FEN1L3MBTL1NPC1HSP90AA1TNKS
SCHEMBL8137623 0.74 HTR6 (0.43) FEN1L3MBTL1TNKSHTR6PTGDR2
SCHEMBL25564878 0.73 FEN1 (0.43) FEN1L3MBTL1NPC1HSP90AA1TNKS
SCHEMBL30664767 0.72 FEN1 (0.39) FEN1L3MBTL1NPC1HSP90AA1TNKS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9371331-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-06-21 US disclosed
US-20150259351-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-09-17 US disclosed
US-9085583-B2 Modulators of methyl modifying enzymes, compositions and uses thereof Constellation—Pharmaceuticals, Inc. (US) 2015-07-21 US disclosed
US-20150011546-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2015-01-08 US disclosed
US-20080119466-A1 Heteroarylphenylurea Derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-05-22 US disclosed
EP-1299378-A4 TETRAHYDROPYRIDINO OR PIPERIDINO HETEROCYCLIC DERIVATIVES TAISHO PHARMACEUTICAL CO LTD (JP) 2004-01-28 EP disclosed
EP-1299378-A1 TETRAHYDROPYRIDINO OR PIPERIDINO HETEROCYCLIC DERIVATIVES Taisho Pharmaceutical Co. Ltd. (JP) 2003-04-09 EP disclosed
WO-2002002549-A1 TETRAHYDROPYRIDINO OR PIPERIDINO HETEROCYCLIC DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2002-01-10 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 (3 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-20080119466-A1 Heteroarylphenylurea Derivative CHRM1, CBR3, CHRM2 FEN1 4062/4885L3MBTL1 730/4885NPC1 1855/4885
US-20150011546-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 FEN1 109/4885L3MBTL1 925/4885NPC1 4022/4885
US-20150259351-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 FEN1 109/4885L3MBTL1 925/4885NPC1 4022/4885

“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.