SCHEMBL2213285

SCHEMBL2213285

CSc1nc(-c2ccc(-c3ccc(F)cc3)cc2)cc2ccnn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.39
MAPK13 O15264 6/20 0.39
MAPK12 P53778 6/20 0.39
MAPK11 Q15759 6/20 0.39
ALDH1A1 P00352 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 3/20 0.36
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35
CYP19A1 P11511 1/20 0.35
CSNK2A1 P68400 1/20 0.34
AXL P30530 1/20 0.34
KEAP1 Q14145 1/20 0.34
ALDH1A3 P47895 1/20 0.34
RAD51 Q06609 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
SCHEMBL2212035 0.87 SMN1; SMN2 (0.39) ALDH1A1L3MBTL1MAPTMAPK1HTT
SCHEMBL2214144 0.84
SCHEMBL2213284 0.84 NPC1 (0.38) ALDH1A1MAPTNPSR1KDM4ELMNA
SCHEMBL2213882 0.84 SMN1; SMN2 (0.45) ALDH1A1MAPTMAPK1NPSR1KDM4E
SCHEMBL2212656 0.80 SMN1; SMN2 (0.35) ALDH1A1MAPTHTTNPSR1KDM4E
SCHEMBL2216178 0.79 DHODH (0.43) ALDH1A1MAPTNPSR1KDM4ELMNA
SCHEMBL2212151 0.78 GSK3B (0.36) ALDH1A1MAPTHTTNPSR1KDM4E
SCHEMBL2216151 0.77 CYP2A6 (0.34) MAPTMAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL2214089 0.76 MAPT (0.44) ALDH1A1MAPTMAPK1NPSR1KDM4E
SCHEMBL5448658 0.76 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11ALDH1A1

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
EP-1797096-B1 PYRAZOLOPYRIMIDINES AS INHIBITORS OF PROTEIN KINASE B (AKT) BAYER SCHERING PHARMA AG (DE) 2011-07-27 EP disclosed
US-7745446-B2 Pyrazolo[1,5-c]pyrimidines BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-29 US disclosed
US-20070254046-A1 Novel Pyrazolopyrimidines ALTANA PHARMA AG (DE) 2007-11-01 US 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-20070254046-A1 Novel Pyrazolopyrimidines MCL1, RARS2, CDK4 MAPK14 1657/4885MAPK13 2190/4885MAPK12 2218/4885

“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.