SCHEMBL5872612

SCHEMBL5872612

CCCCCc1cc2ncccn2n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
CNR2 P34972 2/20 0.40
CNR1 P21554 1/20 0.40
KCNH2 Q12809 1/20 0.39
KDM5A P29375 2/20 0.33
KDM4C Q9H3R0 2/20 0.33
KDM5B Q9UGL1 2/20 0.33
PDPK1 O15530 1/20 0.33
TLR7 Q9NYK1 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
CYP19A1 P11511 3/20 0.32
TLR8 Q9NR97 1/20 0.32

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
SCHEMBL21515669 0.82 APOBEC3A (0.49) APOBEC3AAPOBEC3G
SCHEMBL5147045 0.76 APOBEC3A (0.41) APOBEC3AAPOBEC3GKDM4CDRD2DRD4
SCHEMBL23806233 0.74 APOBEC3A (0.45) APOBEC3AAPOBEC3GTLR7
SCHEMBL19203822 0.74 APOBEC3A (0.45) APOBEC3AAPOBEC3G
SCHEMBL7481484 0.74 APOBEC3A (0.45) APOBEC3AAPOBEC3G
SCHEMBL24983902 0.73 APOBEC3A (0.38) APOBEC3AAPOBEC3G
SCHEMBL2065715 0.71 DYRK1A (0.42) KCNH2KDM5AKDM4CKDM5BTLR7
SCHEMBL2181213 0.69 APOBEC3A (0.53) APOBEC3AAPOBEC3GL3MBTL1
SCHEMBL15020746 0.68 PIK3CG (0.41) TLR7TDP1L3MBTL1
Hydrochloric Acid SCHEMBL4800485 0.67 APOBEC3A (0.51) APOBEC3AAPOBEC3GL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0880523-B1 PYRAZOLOPYRIMIDINES AS CRF RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES INC (US) 2006-08-16 EP disclosed
US-7074797-B2 Pyrazolopyrimidines as CRF receptor antagonists NEUROCRINE BIOSCIENCES, INC. (US) 2006-07-11 US disclosed
US-20040127483-A1 Pyrazolopyrimidines as CRF receptor antagonists NEUROCRINE BIOSCIENCES, INC. (US) 2004-07-01 US disclosed
US-20030125341-A1 PYRAZOLOPYRIMIDINES AS CRF RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. 2003-07-03 US disclosed
EP-0880523-A1 PYRAZOLOPYRIMIDINES AS CRF RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 1998-12-02 EP disclosed
WO-1997029109-A1 PYRAZOLOPYRIMIDINES AS CRF RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 1997-08-14 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 (2 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-20040127483-A1 Pyrazolopyrimidines as CRF receptor antagonists CRHR1, CRHR2, CRH APOBEC3A 4798/4885APOBEC3G 4809/4885CNR2 42/4885
US-20030125341-A1 PYRAZOLOPYRIMIDINES AS CRF RECEPTOR ANTAGONISTS CRHR1, CRHR2, OPRL1 APOBEC3A 4694/4885APOBEC3G 4776/4885CNR2 44/4885

“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.