SCHEMBL3175273

SCHEMBL3175273

O=C(O)c1cnn2ccc(-c3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.55
ALDH1A1 P00352 4/20 0.55
TGFBR1 P36897 3/20 0.53
KMO O15229 2/20 0.53
HSD17B10 Q99714 2/20 0.51
LMNA P02545 1/20 0.48
PIM1 P11309 1/20 0.48
FLT3 P36888 1/20 0.48
PIM2 Q9P1W9 1/20 0.48
CAMKK1 Q8N5S9 1/20 0.47
CAMKK2 Q96RR4 1/20 0.47
KEAP1 Q14145 2/20 0.46
NFE2L2 Q16236 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
DHODH Q02127 1/20 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
SCHEMBL312326 0.85 TGFBR1 (0.52) KDM4EALDH1A1TGFBR1HSD17B10LMNA
SCHEMBL29220715 0.82 CAMKK1 (0.59) KDM4EALDH1A1TGFBR1HSD17B10LMNA
SCHEMBL311959 0.81 HSD17B10 (0.74) KDM4EALDH1A1HSD17B10LMNAMEN1
SCHEMBL9468943 0.79 KDM4E (0.57) KDM4EALDH1A1TGFBR1LMNAPIM1
SCHEMBL3994637 0.78 KEAP1 (0.73) KDM4EALDH1A1KMOKEAP1NFE2L2
SCHEMBL15428599 0.78 JAK2 (0.68) KDM4EALDH1A1HSD17B10LMNAPIM1
SCHEMBL1419736 0.77 DHODH (0.64) KDM4EALDH1A1KMOHSD17B10FLT3
SCHEMBL1420197 0.76 DHODH (0.65) KDM4EALDH1A1KMOLMNAMEN1
SCHEMBL14881446 0.76 TGFBR1 (0.61) KDM4EALDH1A1TGFBR1KMOCAMKK1
SCHEMBL32686101 0.74 TGFBR1 (0.46) TGFBR1CAMKK1CAMKK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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

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 1128/4885TGFBR1 4655/4885

“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.