SCHEMBL5009869

SCHEMBL5009869

Cc1nc(N)c2cnn(-c3ccc(F)cc3F)c2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 6/20 0.51
CYP1A2 P05177 3/20 0.49
SCN9A Q15858 3/20 0.40
MAPK14 Q16539 3/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CRHR1 P34998 1/20 0.36
GLA P06280 1/20 0.36
PDK2 Q15119 1/20 0.36
POLB P06746 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL25977715 0.86 CYP17A1 (0.51) CYP17A1CYP1A2SCN9AMAPK14RAB9A
SCHEMBL25344129 0.84 CYP17A1 (0.49) CYP17A1CYP1A2SCN9AMAPK14RAB9A
SCHEMBL30568732 0.84 CYP17A1 (0.49) CYP17A1CYP1A2SCN9AMAPK14RAB9A
SCHEMBL25344584 0.84 CYP17A1 (0.49) CYP17A1CYP1A2SCN9AMAPK14RAB9A
SCHEMBL5009196 0.84 ADORA1 (0.47) SCN9AMAPK14RAB9ASMN1; SMN2LMNA
SCHEMBL5009712 0.84 CYP17A1 (0.48) CYP17A1CYP1A2SCN9AMAPK14RAB9A
SCHEMBL13846069 0.82 CYP17A1 (0.49) CYP17A1CYP1A2SCN9AMAPK14SMN1; SMN2
SCHEMBL13846119 0.82 CYP17A1 (0.49) CYP17A1CYP1A2SCN9AMAPK14PDK2
SCHEMBL5007641 0.81 TSHR (0.52) CYP17A1CYP1A2RAB9ANPC1SMN1; SMN2
SCHEMBL25342957 0.76 CYP17A1 (0.48) CYP17A1CYP1A2SCN9AMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080292561-A1 Pyrazolo-Pyrimidine Derivatives as Anti-Inflammatory Agents GLAXO GROUP LIMITED 2008-11-27 US disclosed
US-20080292561-A1 Pyrazolo-Pyrimidine Derivatives as Anti-Inflammatory Agents GLAXO GROUP LIMITED 2008-11-27 US disclosed
US-20080292561-A1 Pyrazolo-Pyrimidine Derivatives as Anti-Inflammatory Agents GLAXO GROUP LIMITED 2008-11-27 US disclosed
WO-2007054294-A1 PYRAZOLO-PYRIMIDINE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS GLAXO GROUP LIMITED (GB) 2007-05-18 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-20080292561-A1 Pyrazolo-Pyrimidine Derivatives as Anti-Inflammatory Agents NOD1, FPR3, FPR1 CYP17A1 2243/4885CYP1A2 106/4885SCN9A 3665/4885

“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.