SCHEMBL308924

SCHEMBL308924

O=C(O)c1cnn2cc(F)cnc12.[LiH]

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
PDE2A O00408 6/20 0.42
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
IRAK4 Q9NWZ3 5/20 0.38
ASPH Q12797 1/20 0.36
KDM8 Q8N371 1/20 0.36
CYP3A4 P08684 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL309283 0.98 KDM4E (0.43) KDM4EPDE2AALDH1A1TDP1JAK2
SCHEMBL15778762 0.85 PDE2A (0.41) KDM4EPDE2AALDH1A1JAK2JAK1
Lithium Ion SCHEMBL308923 0.83 PDE2A (0.40) PDE2AALDH1A1JAK2JAK1IRAK4
SCHEMBL10071025 0.81 LMNA (0.44) KDM4EPDE2AALDH1A1JAK2JAK1
SCHEMBL12505413 0.79 IRAK4 (0.43) KDM4EPDE2AALDH1A1TDP1IRAK4
SCHEMBL357371 0.78 KDM4E (0.40) KDM4EPDE2AALDH1A1TDP1
SCHEMBL19029988 0.78 PDE2A (0.43) KDM4EPDE2AALDH1A1TDP1IRAK4
SCHEMBL310362 0.77 HSD11B1 (0.49) KDM4EPDE2AALDH1A1TDP1IRAK4
SCHEMBL310126 0.77 PDE2A (0.59) KDM4EPDE2AALDH1A1TDP1
SCHEMBL310187 0.77 KDM4E (0.43) KDM4EPDE2AALDH1A1TDP1IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2313413-B1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES CONVERGENCE PHARMACEUTICALS (GB) 2012-05-16 EP disclosed
US-8093249-B2 Pyrazolo[1,5-A]pyrimidine-carbonyl-piperazine derivatives Convergence Pharmaceuticals Limited (GB) 2012-01-10 US disclosed
EP-2313413-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES Convergence Pharmaceuticals Limited (GB) 2011-04-27 EP disclosed
US-20100016330-A1 Novel Derivatives Convergence Pharmaceuticals Limited (GB) 2010-01-21 US disclosed
WO-2010007074-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2010-01-21 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-20100016330-A1 Novel Derivatives CACNB2, CACNA1B, CACNA1D KDM4E 3426/4885PDE2A 660/4885ALDH1A1 3984/4885

“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.