SCHEMBL3199726

SCHEMBL3199726

[CH2]/C=C/CN1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
LTA4H P09960 1/20 0.36
HRH3 Q9Y5N1 4/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
SIGMAR1 Q99720 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
PRMT8 Q9NR22 1/20 0.32
CHRM5 P08912 1/20 0.32
ADRA2C P18825 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 2/20 0.31
GAA P10253 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 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
SCHEMBL3199732 1.00 SMN1; SMN2 (0.37) SMN1; SMN2LTA4HHRH3CHRNB2CHRNB4
SCHEMBL27961063 0.97 SMN1; SMN2 (0.35) SMN1; SMN2LTA4HHRH3CHRNB2CHRNB4
SCHEMBL19837632 0.97 SMN1; SMN2 (0.35) SMN1; SMN2LTA4HHRH3CHRNB2CHRNB4
SCHEMBL446258 0.97
SCHEMBL4962729 0.97
SCHEMBL9112203 0.83 SIGMAR1 (0.41) LTA4HHRH3CHRNB2CHRNB4CHRNA3
SCHEMBL9112196 0.83 SIGMAR1 (0.41) LTA4HHRH3CHRNB2CHRNB4CHRNA3
SCHEMBL23872301 0.83 HRH3 (0.43) SMN1; SMN2LTA4HHRH3CHRNB2CHRNB4
SCHEMBL10748748 0.83 HRH3 (0.43) SMN1; SMN2LTA4HHRH3CHRNB2CHRNB4
SCHEMBL7227482 0.83 HRH3 (0.43) SMN1; SMN2LTA4HHRH3CHRNB2CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101203494-A Process for the synthesis of substituted 3-cyanoquinolines and intermediates thereof WYETH CORP (US) 2008-06-18 CN claimed
EP-1883631-A1 METHODS OF SYNTHESIZING SUBSTITUTED 3-CYANOQUINOLINES AND INTERMEDIATES THEREOF Wyeth (US) 2008-02-06 EP claimed
WO-2006127207-A1 METHODS OF SYNTHESIZING SUBSTITUTED 3-CYANOQUINOLINES AND INTERMEDIATES THEREOF WYETH (US) 2006-11-30 WO claimed
US-20060270668-A1 Methods of synthesizing substituted 3-cyanoquinolines and intermediates thereof WYETH (US) 2006-11-30 US claimed
US-7667036-B2 MAPKAP-K2 (mitogen-activated protein kinase-activated protein kinase 2) inhibitors; inflammatory, autoimmune disease, destructive bone disorder, cancer and/or tumor growth; angiogenesis, diabetes and neurological disorders TEIJIN PHARMA LIMITED (JP) 2010-02-23 US disclosed
US-7557110-B2 MAPKAP-K2; inflammatory disease, autoimmune disease, destructive bone disorder, cancer and/or tumour growth; 5-[(trans-4-aminocyclohexyl)amino]-3-fluoro-6-methyl(pyrazolo[1,5-a]pyri- midin-7-yl)}(4-iodophenyl)amine TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
EP-1599482-A4 PYRAZOLO 1,5-A PYRIMIDINE DERIVATIVES TEIJIN PHARMA LTD (JP) 2008-10-01 EP disclosed
CN-101203494-A Process for the synthesis of substituted 3-cyanoquinolines and intermediates thereof WYETH CORP (US) 2008-06-18 CN disclosed
EP-1883631-A1 METHODS OF SYNTHESIZING SUBSTITUTED 3-CYANOQUINOLINES AND INTERMEDIATES THEREOF Wyeth (US) 2008-02-06 EP disclosed
CN-101039945-A Pyrazolo [1, 5-a ] pyrimidine derivatives TEIJIN PHARMA LTD (JP) 2007-09-19 CN disclosed
EP-1780212-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVE Teijin Pharma Limited (JP) 2007-05-02 EP disclosed
WO-2006127207-A1 METHODS OF SYNTHESIZING SUBSTITUTED 3-CYANOQUINOLINES AND INTERMEDIATES THEREOF WYETH (US) 2006-11-30 WO disclosed
US-20060270668-A1 Methods of synthesizing substituted 3-cyanoquinolines and intermediates thereof WYETH (US) 2006-11-30 US disclosed
US-20060189632-A1 Pyrazolo[1,5-A] pyrimidine derivatives TEIJIN PHARMA LIMITED (JP) 2006-08-24 US disclosed
US-20060135514-A1 Pyrazolo[1,5-a]pyrimidine derivatives TEIJIN PHARMA LIMITED 2006-06-22 US disclosed
EP-1599482-A1 PYRAZOLO 1,5-A PYRIMIDINE DERIVATIVES Teijin Pharma Limited (JP) 2005-11-30 EP disclosed
WO-2004076458-A1 PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES TEIJIN PHARMA LIMITED (JP) 2004-09-10 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-20060270668-A1 Methods of synthesizing substituted 3-cyanoquinolines and intermediates thereof HCCS, CYP3A7, QPCT SMN1; SMN2 3385/4885LTA4H 2384/4885HRH3 2960/4885
US-20060135514-A1 Pyrazolo[1,5-a]pyrimidine derivatives MAPKAPK2, MAPKAPK5, MAP4K2 SMN1; SMN2 3512/4885LTA4H 4045/4885HRH3 1993/4885
US-20060189632-A1 Pyrazolo[1,5-A] pyrimidine derivatives MAP3K1, MAP3K5, MAP3K15 SMN1; SMN2 3775/4885LTA4H 3030/4885HRH3 3077/4885

“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.