SCHEMBL3160485

SCHEMBL3160485

N#Cc1cnn2c(-c3cccc(C(F)(F)F)c3)ccnc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 1.00
ALDH1A1 P00352 1/20 0.67
HPGD P15428 1/20 0.67
CLK4 Q9HAZ1 1/20 0.67
GABRA1 P14867 1/20 0.55
GABRG2 P18507 1/20 0.55
GABRB3 P28472 1/20 0.55
MAPK1 P28482 1/20 0.55
GABRA2 P47869 1/20 0.55
GABRB2 P47870 1/20 0.55
AOX1 Q06278 1/20 0.55
PDE3A Q14432 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
MDM2 Q00987 1/20 0.49
BRAF P15056 10/20 0.48
CYP17A1 P05093 1/20 0.46
KDM4D Q6B0I6 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
SCHEMBL3162634 0.84 KDM4E (0.72) KDM4EALDH1A1HPGDCLK4GABRA1
SCHEMBL4656063 0.84 BRAF (0.73) KDM4EBRAF
SCHEMBL30579781 0.81 KDM4E (0.71) KDM4EALDH1A1HPGDCLK4GABRA1
SCHEMBL3164198 0.81 KDM4E (0.69) KDM4EBRAFCYP17A1
SCHEMBL9468075 0.81 KDM4E (0.69) KDM4EBRAFCYP17A1
SCHEMBL5804188 0.81 KDM4E (0.71) KDM4EALDH1A1HPGDCLK4GABRA1
SCHEMBL3155574 0.81 KDM4E (0.69) KDM4EBRAFCYP17A1
SCHEMBL9468711 0.81 KDM4E (0.71) KDM4EALDH1A1HPGDCLK4GABRA1
SCHEMBL30579799 0.81 KDM4E (0.71) KDM4EALDH1A1HPGDCLK4GABRA1
SCHEMBL9468197 0.81 KDM4E (0.71) KDM4EALDH1A1HPGDCLK4GABRA1

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 18 patents. 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
US-20070155995-A1 Two-phase method for the synthesis of selected pyrazolopyrimidines MALLINCKRODT INC, (US) 2007-07-05 US claimed
US-4178449-A Pyrazolo[1,5-a]pyrimidines and imidazo-[1,5-a]pyrimidines AMERICAN CYANAMID COMPANY (US) 1979-12-11 US claimed
US-7498434-B2 Two-phase method for the synthesis of selected pyrazolopyrimidines MALLINCKRODT INC (US) 2009-03-03 US disclosed
US-20070155995-A1 Two-phase method for the synthesis of selected pyrazolopyrimidines MALLINCKRODT INC, (US) 2007-07-05 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
US-5219857-A Method of treating cognitive and related neural behavioral problems AMERICAN CYANAMID COMPANY (US) 1993-06-15 US disclosed
US-5169850-A Neurotropic or hypotensive agents AMERICAN CYANAMID COMPANY (US) 1992-12-08 US disclosed
US-5126340-A Antidepressants AMERICAN CYANAMID COMPANY (US) 1992-06-30 US disclosed
US-5059691-A Anxiolytic agents; hypotensive agents; nervous system disorders; cognition activators AMERICAN CYANAMID COMPANY (US) 1991-10-22 US disclosed
US-4963553-A TREATING COGNITIVE AND NEURAL BEHAVIORAL PROBLEMS IN MAMMALS AMERICAN CYANAMID CO. (US) 1990-10-16 US disclosed
US-4916137-A 5-(Substituted-amino)-8-(phenyl or substituted-phenyl)-3H,6H-1,4,5A,8A-tetraazaacenaphthylen-3-ones and treatment of neural behavior disorders AMERICAN CYANAMID COMPANY (US) 1990-04-10 US disclosed
US-4847256-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1989-07-11 US disclosed
EP-0264773-A1 4,5-dihydro and 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidines AMERICAN CYANAMID COMPANY (US) 1988-04-27 EP disclosed
US-4236005-A ANTIANXIETY AMERICAN CYANAMID COMPANY (US) 1980-11-25 US disclosed
US-4178449-A Pyrazolo[1,5-a]pyrimidines and imidazo-[1,5-a]pyrimidines AMERICAN CYANAMID COMPANY (US) 1979-12-11 US 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.