SCHEMBL5407537

SCHEMBL5407537

O=Cc1ccnc2ccc(C(F)(F)F)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.46
CCNC P24863 1/20 0.46
CDK8 P49336 1/20 0.46
CCR1 P32246 1/20 0.46
CCR5 P51681 1/20 0.46
CCR8 P51685 1/20 0.46
KDR P35968 2/20 0.45
CNR1 P21554 2/20 0.45
CHEK1 O14757 1/20 0.45
AURKA O14965 1/20 0.45
DYRK3 O43781 1/20 0.45
PRKD3 O94806 1/20 0.45
MAP4K4 O95819 1/20 0.45
CDK1 P06493 1/20 0.45
PIM1 P11309 1/20 0.45
FER P16591 1/20 0.45
RPS6KB1 P23443 1/20 0.45
CDK2 P24941 1/20 0.45
AXL P30530 1/20 0.45
CSNK1A1 P48729 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
SCHEMBL9360788 0.89 PARP1 (0.49) SLC22A12CCNCCDK8CCR1CCR5
SCHEMBL16248020 0.81 CCNC (0.49) SLC22A12CCNCCDK8KDRCNR1
SCHEMBL16289500 0.79 CCNC (0.48) SLC22A12CCNCCDK8KDRCNR1
SCHEMBL2326429 0.77 CCR1 (0.50) SLC22A12CCNCCDK8CCR1CCR5
SCHEMBL30050271 0.76 CCNC (0.48) SLC22A12CCNCCDK8KDRCNR1
Hydrochloric Acid SCHEMBL28643028 0.76 CCR1 (0.48) SLC22A12CCNCCDK8CCR1CCR5
SCHEMBL422643 0.76 SMN1; SMN2 (0.59) SLC22A12CCNCCDK8KDRCHEK1
SCHEMBL31510479 0.76 CCNC (0.48) SLC22A12CCNCCDK8KDRCNR1
SCHEMBL317086 0.76 CCNC (0.48) SLC22A12CCNCCDK8KDRCNR1
SCHEMBL8547469 0.76 CCNC (0.48) SLC22A12CCNCCDK8KDRCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7285558-B2 Pyrazolo[3,4-d]pyrimidines inhibiting H. pylori infections ASTRAZENECA AB (SE) 2007-10-23 US disclosed
US-7285558-B2 Pyrazolo[3,4-d]pyrimidines inhibiting H. pylori infections ASTRAZENECA AB (SE) 2007-10-23 US disclosed
US-7285558-B2 Pyrazolo[3,4-d]pyrimidines inhibiting H. pylori infections ASTRAZENECA AB (SE) 2007-10-23 US disclosed
US-20040254183-A1 Pyrazolo[3,4-d]pyrimidines inhibiting h. pylori infections ASTRAZENECA AB (SE) 2004-12-16 US disclosed
EP-1412355-A1 NEW PYRAZOLO(3,4-D)PYRIMIDINES INHIBITING H. PYLORI INFECTIONS AstraZeneca AB (SE) 2004-04-28 EP disclosed
WO-2003002567-A1 NEW PYRAZOLO[3,4-D]PYRIMIDINES INHIBITING H. PYLORI INFECTIONS ASTRAZENECA AB (SE) 2003-01-09 WO disclosed
US-5589484-A TREATMENT OF HELICOBACTER INFECTIONS, ANTIULCER JANSSEN PHARMACEUTICA N.V. (BE) 1996-12-31 US disclosed
EP-0666855-B1 4-QUINOLINYL DERIVATIVES WITH ANTI-HELICOBACTER ACTIVITY JANSSEN PHARMACEUTICA NV (BE) 1996-09-18 EP disclosed
EP-0666855-A1 4-QUINOLINYL DERIVATIVES WITH ANTI-HELICOBACTER ACTIVITY. JANSSEN PHARMACEUTICA NV (BE) 1995-08-16 EP disclosed
WO-1994010164-A1 4-QUINOLINYL DERIVATIVES WITH ANTI-HELICOBACTER ACTIVITY JANSSEN PHARMACEUTICA N.V. (BE) 1994-05-11 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-20040254183-A1 Pyrazolo[3,4-d]pyrimidines inhibiting h. pylori infections DPYD, HPGDS, PGC SLC22A12 3434/4885CCNC 738/4885CDK8 539/4885

“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.