SCHEMBL17460397

SCHEMBL17460397

CCOC(=O)c1nn2cccnc2c1-c1ccc(Cl)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 9/20 0.48
KCNQ2 O43526 9/20 0.48
HPGD P15428 2/20 0.40
ELANE P08246 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 2/20 0.39
APOBEC3A P31941 1/20 0.39
GAA P10253 1/20 0.39
ATM Q13315 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
BRD4 O60885 1/20 0.38

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
SCHEMBL17460404 0.85 MAPT (0.53) KCNQ3KCNQ2HPGDELANEALDH1A1
SCHEMBL17460381 0.84 KCNQ3 (0.47) KCNQ3KCNQ2ALDH1A1APOBEC3AGAA
SCHEMBL17468719 0.84 PDE4B (0.52) KCNQ3KCNQ2HPGDALDH1A1NPC1
SCHEMBL17468695 0.79 PDE4B (0.56) KCNQ3KCNQ2ALDH1A1GAAATM
SCHEMBL17460410 0.78 KCNQ3 (0.60) KCNQ3KCNQ2NPC1RAB9ASMN1; SMN2
SCHEMBL17460369 0.77 PDE4B (0.59) KCNQ3KCNQ2
SCHEMBL17460368 0.77 KCNQ3 (0.62) KCNQ3KCNQ2RAB9A
SCHEMBL17468588 0.76 PDE4B (0.54) KCNQ3KCNQ2HPGDALDH1A1GAA
SCHEMBL17468740 0.75 PDE4B (0.55) KCNQ3KCNQ2HPGDALDH1A1GAA
SCHEMBL17460387 0.75 JAK2 (0.45) KCNQ3KCNQ2

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
US-10131669-B2 Pyrazolopyrimidine compounds PFIZER INC. (US) 2018-11-20 US disclosed
US-20170204099-A1 Pyrazolopyrimidine Compounds PFIZER INC. (US) 2017-07-20 US disclosed
US-20170204099-A1 Pyrazolopyrimidine Compounds PFIZER INC. (US) 2017-07-20 US disclosed
US-20170204099-A1 Pyrazolopyrimidine Compounds PFIZER INC. (US) 2017-07-20 US disclosed
EP-3172210-A1 PYRAZOLOPYRIMIDINE COMPOUNDS Pfizer Inc (US) 2017-05-31 EP disclosed
WO-2016012896-A1 PYRAZOLOPYRIMIDINE COMPOUNDS PFIZER INC. (US) 2016-01-28 WO disclosed
WO-2016012896-A1 PYRAZOLOPYRIMIDINE COMPOUNDS PFIZER INC. (US) 2016-01-28 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-10131669-B2 Pyrazolopyrimidine compounds PDE4B, PDE4A, PDE7A KCNQ3 1024/4885KCNQ2 1231/4885HPGD 954/4885
US-20170204099-A1 Pyrazolopyrimidine Compounds DPYD, QDPR, ABCG2 KCNQ3 50/4885KCNQ2 49/4885HPGD 1926/4885

“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.