SCHEMBL1662955

SCHEMBL1662955

COc1cc(Cl)nc2n[nH]c(C3CCC3)c12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FYN P06241 4/20 0.40
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
GRM5 P41594 1/20 0.35
BRAF P15056 3/20 0.35
ILK Q13418 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
MAT2A P31153 1/20 0.33
AXL P30530 5/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
ROCK2 O75116 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
SCHEMBL6865122 0.76 HTR2A (0.34) PDE3BPDE3AHTR2AHTR2CPDGFRB
SCHEMBL1662715 0.75 PDE10A (0.40) FYNAXL
SCHEMBL1662957 0.69 MAPT (0.33) FYNPDE3AGRM5
SCHEMBL12019130 0.63 CCNT1 (0.34) PDE3BPDE3AHTR2AJAK2JAK1
SCHEMBL30682140 0.62 HPGD (0.35)
SCHEMBL28412458 0.62 HPGD (0.35)
SCHEMBL13313436 0.59 NQO2 (0.46)
SCHEMBL1662996 0.58 TSHR (0.41)
SCHEMBL6165212 0.58 S1PR1 (0.40)
SCHEMBL30682133 0.58 AXL (0.42) AXL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120220624-A1 PYRAZOLO [3,4-B] PYRIDIN-4-ONE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-08-30 US disclosed
EP-2490693-A1 PYRAZOLO [3,4-b]PYRIDIN-4-ONE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-08-29 EP disclosed
WO-2011049722-A1 PYRAZOLO [3,4-b] PYRIDIN-4-ONE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-04-28 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 (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-20120220624-A1 PYRAZOLO [3,4-B] PYRIDIN-4-ONE KINASE INHIBITORS CDK1, CDK5, TTBK1 FYN 300/4885PDE3B 1374/4885PDE3A 1391/4885

“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.