SCHEMBL3552213

SCHEMBL3552213

[CH]1CCN(Cc2ccncc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.53
HPGD P15428 1/20 0.53
CYP2D6 P10635 3/20 0.47
KDM4E B2RXH2 3/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HIF1A Q16665 1/20 0.47
CASP1 P29466 1/20 0.47
CASP4 P49662 1/20 0.47
CASP5 P51878 1/20 0.47
POLB P06746 1/20 0.46
CCR2 P41597 1/20 0.46
HRH3 Q9Y5N1 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TRPV6 Q9H1D0 1/20 0.45
TSHR P16473 1/20 0.45
ALDH1A1 P00352 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
SCHEMBL7204490 0.88 HPGD (0.46) LSSHPGDCYP2D6KDM4ECYP3A4
SCHEMBL28269086 0.87 LSS (0.66) LSSHPGDCYP2D6KDM4ECYP3A4
SCHEMBL3994683 0.83 HRH3 (0.67) LSSHPGDCYP2D6KDM4ECYP3A4
SCHEMBL10525513 0.81 HRH3 (0.71) LSSHPGDCYP2D6KDM4ECYP3A4
SCHEMBL13442 0.81 HRH3 (0.71) LSSHPGDCYP2D6KDM4ECYP3A4
SCHEMBL2208141 0.81 HRH3 (0.71) LSSHPGDCYP2D6KDM4ECYP3A4
SCHEMBL664820 0.79 LSS (0.53) LSSHPGDCYP2D6KDM4ECYP3A4
SCHEMBL28277353 0.79 MAOA (0.46) LSSHPGDCYP2D6KDM4ECYP3A4
SCHEMBL60814 0.78 SIGMAR1 (0.74) KDM4ECYP3A4POLBSIGMAR1
SCHEMBL209327 0.78 HPGD (0.70) LSSHPGDCYP2D6CYP3A4MEN1

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102153544-A Preparation method and application of novel tyrosine kinase inhibitors SHANGHAI SUN SAIL PHARMACEUTICAL SCIENCE & TECHNOLOGY CO LTD 2011-08-17 CN claimed
CN-1984892-A Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL MYERS SQUIBB PHARMA CO (US) 2007-06-20 CN claimed
CN-1984655-A Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL MYERS SQUIBB PHARMA CO (US) 2007-06-20 CN claimed
CN-1960975-A Substituted pyridones as poly (ADP-ribose) polymerase (PARP) inhibitors AVENTIS PHARMA INC (US) 2007-05-09 CN claimed
US-7186710-B2 Phthalazinones ALTANA PHARMA AG (DE) 2007-03-06 US claimed
EP-1732896-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) Aventis Pharmaceuticals Inc. (US) 2006-12-20 EP claimed
WO-2005097750-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2005-10-20 WO claimed
US-20040127707-A1 PDE4/7 inhibitors useful in treatment of airway disorders, autoimmune system disorders, skin disorders, arthritis, nerve system disorders ALTANA PHARMA AG (DE) 2004-07-01 US claimed
CN-1503792-A Phthalazinones ��̹��ҽҩ��˾ 2004-06-09 CN claimed
EP-1385848-A2 PHTALAZINONES DERIVATIVES USEFUL AS PDE4/7 INHIBITORS ALTANA Pharma AG (DE) 2004-02-04 EP claimed
WO-2002085906-A2 PHTHALAZINONES DERIVATIVES USEFUL AS PDE4/7 INHIBITORS ALTANA PHARMA AG (DE) 2002-10-31 WO claimed
CN-102153544-B Preparation method and application of novel tyrosine kinase inhibitors SHANGHAI SUN SAIL PHARMACEUTICAL SCIENCE & TECHNOLOGY CO LTD 2015-04-29 CN disclosed
CN-1984655-B Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB CO. (US) 2011-11-30 CN disclosed
CN-102153544-A Preparation method and application of novel tyrosine kinase inhibitors SHANGHAI SUN SAIL PHARMACEUTICAL SCIENCE & TECHNOLOGY CO LTD 2011-08-17 CN disclosed
US-7834015-B2 treatment of cancer, inflammatory diseases, reperfusion injuries, ischaemic conditions, stroke, renal failure, cardiovascular diseases, neurodegenerative diseases, retroviral infections, retinal damage, skin senescence and UV skin damage, and as chemosensitizers or radiosensitizers for cancer treatment INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-11-16 US disclosed
WO-2002085906-A2 PHTHALAZINONES DERIVATIVES USEFUL AS PDE4/7 INHIBITORS ALTANA PHARMA AG (DE) 2002-10-31 WO disclosed
EP-0625507-B1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO (JP) 1997-07-23 EP disclosed
US-5621010-A ANTIHYPERCHOLESTEROLEMIA AND ANTIATHEROSCLEROSIS NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-04-15 US disclosed
EP-0625507-A2 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO., LTD. (JP) 1994-11-23 EP disclosed
CN-1041363-A PROCESS FOR PREPARING IMIDAZOLE ANTIARRHYTHMICS MERRELL DOW PHARMA (US) 1990-04-18 CN 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-20040127707-A1 PDE4/7 inhibitors useful in treatment of airway disorders, autoimmune system disorders, skin disorders, arthritis, nerve system disorders PDE4A, PDE4B, PDE7B LSS 1506/4885HPGD 1329/4885CYP2D6 1473/4885

“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.