SCHEMBL3199863

SCHEMBL3199863

[CH2]C#CCCN1CCNCC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
CXCR4 P61073 2/20 0.41
HSD17B10 Q99714 1/20 0.37
SIGMAR1 Q99720 5/20 0.35
RAD52 P43351 1/20 0.35
KDM1A O60341 2/20 0.35
ALDH1A1 P00352 2/20 0.34
PKM P14618 1/20 0.34
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
SLC6A4 P31645 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM3 P20309 1/20 0.32

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
SCHEMBL965536 0.79 HRH3 (0.46) POLBALDH1A1PKMHRH3
SCHEMBL17552087 0.78 POLB (0.57) POLBSMN1; SMN2CXCR4HSD17B10SIGMAR1
SCHEMBL1483544 0.77 LMNA (0.40) POLBSMN1; SMN2CXCR4HSD17B10SIGMAR1
SCHEMBL967849 0.77 HRH3 (0.48) POLBHRH3
SCHEMBL25045298 0.77 POLB (0.55) POLBSMN1; SMN2CXCR4HSD17B10SIGMAR1
SCHEMBL17393683 0.74 KDM4E (0.43) POLBSMN1; SMN2HSD17B10SIGMAR1KDM1A
SCHEMBL1481713 0.73 POLB (0.61) POLBSMN1; SMN2CXCR4HSD17B10SIGMAR1
SCHEMBL2905479 0.73 POLB (1.00) POLBSMN1; SMN2CXCR4HSD17B10SIGMAR1
SCHEMBL313814 0.73 POLB (0.61) POLBSMN1; SMN2CXCR4HSD17B10SIGMAR1
SCHEMBL1704847 0.73 POLB (1.00) POLBSMN1; SMN2CXCR4HSD17B10SIGMAR1

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-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
EP-1780212-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVE Teijin Pharma Limited (JP) 2007-05-02 EP 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 (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-20060135514-A1 Pyrazolo[1,5-a]pyrimidine derivatives MAPKAPK2, MAPKAPK5, MAP4K2 POLB 2145/4885SMN1; SMN2 3512/4885CXCR4 3004/4885
US-20060189632-A1 Pyrazolo[1,5-A] pyrimidine derivatives MAP3K1, MAP3K5, MAP3K15 POLB 1321/4885SMN1; SMN2 3775/4885CXCR4 3264/4885

“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.