SCHEMBL3166111

SCHEMBL3166111

N#Cc1cnn2c(-c3cccnc3)ccnc12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.77
ALDH1A1 P00352 4/20 0.77
HPGD P15428 2/20 0.77
CLK4 Q9HAZ1 2/20 0.77
SMN1; SMN2 Q16637 3/20 0.61
MDM2 Q00987 1/20 0.55
KDM4D Q6B0I6 1/20 0.55
MAPK1 P28482 2/20 0.53
GABRA1 P14867 1/20 0.53
GABRG2 P18507 1/20 0.53
GABRB3 P28472 1/20 0.53
GABRA2 P47869 1/20 0.53
GABRB2 P47870 1/20 0.53
AOX1 Q06278 1/20 0.53
PDE3A Q14432 1/20 0.53
GLA P06280 1/20 0.50
HSD17B10 Q99714 1/20 0.50
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
CSNK2A1 P68400 2/20 0.44

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
SCHEMBL11165149 0.89 KDM4E (0.66) KDM4EALDH1A1HPGDCLK4SMN1; SMN2
SCHEMBL9468787 0.87 KDM4E (1.00) KDM4EALDH1A1HPGDCLK4SMN1; SMN2
SCHEMBL11346886 0.84 KDM4E (0.78) KDM4EALDH1A1HPGDCLK4SMN1; SMN2
SCHEMBL9468711 0.80 KDM4E (0.71) KDM4EALDH1A1HPGDCLK4SMN1; SMN2
SCHEMBL3162634 0.80 KDM4E (0.72) KDM4EALDH1A1HPGDCLK4SMN1; SMN2
SCHEMBL5804188 0.80 KDM4E (0.71) KDM4EALDH1A1HPGDCLK4SMN1; SMN2
SCHEMBL30579781 0.80 KDM4E (0.71) KDM4EALDH1A1HPGDCLK4SMN1; SMN2
SCHEMBL11161734 0.80 KDM4E (0.50) KDM4EALDH1A1HPGDCLK4SMN1; SMN2
SCHEMBL30579799 0.80 KDM4E (0.71) KDM4EALDH1A1HPGDCLK4SMN1; SMN2
SCHEMBL9468197 0.80 KDM4E (0.71) KDM4EALDH1A1HPGDCLK4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1713808-B1 TWO-PHASE METHOD FOR THE SYNTHESIS OF SELECTED PYRAZOLOPYRIMIDINES MALLINCKRODT INC (US) 2010-02-24 EP claimed
US-7498434-B2 Two-phase method for the synthesis of selected pyrazolopyrimidines MALLINCKRODT INC (US) 2009-03-03 US claimed
EP-1885367-A2 METHOD FOR THE TREATMENT OF NOISE PHOBIA IN COMPANION ANIMALS Wyeth (US) 2008-02-13 EP claimed
US-20070155995-A1 Two-phase method for the synthesis of selected pyrazolopyrimidines MALLINCKRODT INC, (US) 2007-07-05 US claimed
US-20060270677-A1 Method for the treatment of noise phobia in companion animals WYETH (US) 2006-11-30 US claimed
WO-2006127574-A2 METHOD FOR THE TREATMENT OF NOISE PHOBIA IN COMPANION ANIMALS WYETH (US) 2006-11-30 WO claimed
EP-1713808-A1 TWO-PHASE METHOD FOR THE SYNTHESIS OF SELECTED PYRAZOLOPYRIMIDINES MALLINCKRODT, INC. (US) 2006-10-25 EP claimed
WO-2005070931-A1 TWO-PHASE METHOD FOR THE SYNTHESIS OF SELECTED PYRAZOLOPYRIMIDINES MALLINCKRODT INC. (US) 2005-08-04 WO claimed
EP-0025819-B1 SUBSTITUTED PYRAZOLO (1,5-A) PYRIMIDINES, AND THEIR PREPARATION AMERICAN CYANAMID COMPANY (US) 1983-10-12 EP claimed
EP-1713808-B1 TWO-PHASE METHOD FOR THE SYNTHESIS OF SELECTED PYRAZOLOPYRIMIDINES MALLINCKRODT INC (US) 2010-02-24 EP disclosed
US-7498434-B2 Two-phase method for the synthesis of selected pyrazolopyrimidines MALLINCKRODT INC (US) 2009-03-03 US disclosed
CN-101184492-A Methods for treating noise phobia in companion animals WYETH CORP (US) 2008-05-21 CN disclosed
EP-1885367-A2 METHOD FOR THE TREATMENT OF NOISE PHOBIA IN COMPANION ANIMALS Wyeth (US) 2008-02-13 EP disclosed
EP-1885367-A2 METHOD FOR THE TREATMENT OF NOISE PHOBIA IN COMPANION ANIMALS Wyeth (US) 2008-02-13 EP disclosed
US-20060270677-A1 Method for the treatment of noise phobia in companion animals WYETH (US) 2006-11-30 US disclosed
EP-1713808-A1 TWO-PHASE METHOD FOR THE SYNTHESIS OF SELECTED PYRAZOLOPYRIMIDINES MALLINCKRODT, INC. (US) 2006-10-25 EP disclosed
WO-2005070931-A1 TWO-PHASE METHOD FOR THE SYNTHESIS OF SELECTED PYRAZOLOPYRIMIDINES MALLINCKRODT INC. (US) 2005-08-04 WO disclosed
EP-0025819-B1 SUBSTITUTED PYRAZOLO (1,5-A) PYRIMIDINES, AND THEIR PREPARATION AMERICAN CYANAMID COMPANY (US) 1983-10-12 EP disclosed
US-4281000-A Substituted pyrazolo (1,5-a)pyrimidines and their use as anxiolytic agents AMERICAN CYANAMID COMPANY (US) 1981-07-28 US disclosed
EP-0025819-A1 Substituted pyrazolo (1,5-a) pyrimidines, and their preparation AMERICAN CYANAMID COMPANY (US) 1981-04-01 EP 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-20070155995-A1 Two-phase method for the synthesis of selected pyrazolopyrimidines AZI2, CDK2, TPMT KDM4E 3705/4885ALDH1A1 1128/4885HPGD 479/4885

“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.