SCHEMBL3260282

SCHEMBL3260282

NC(=O)c1cccc(-c2ncnc3[nH]ncc23)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 5/20 0.47
RET P07949 3/20 0.47
LRRK2 Q5S007 3/20 0.47
AURKA O14965 3/20 0.47
DAPK3 O43293 2/20 0.47
MAP4K4 O95819 2/20 0.47
CSF1R P07333 2/20 0.47
FGFR1 P11362 2/20 0.47
PDGFRA P16234 2/20 0.47
LTK P29376 2/20 0.47
KDR P35968 2/20 0.47
CSNK1A1 P48729 2/20 0.47
PRKX P51817 2/20 0.47
CDK5 Q00535 2/20 0.47
MAP2K1 Q02750 2/20 0.47
MST1R Q04912 2/20 0.47
PTK2 Q05397 2/20 0.47
CAMK1D Q8IU85 2/20 0.47
CLK4 Q9HAZ1 2/20 0.47
DYRK1B Q9Y463 2/20 0.47

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
SCHEMBL745097 0.90 RET (0.43) BTKRETLRRK2AURKADAPK3
SCHEMBL3260275 0.83 AURKA (0.46) BTKRETLRRK2AURKADAPK3
SCHEMBL3264099 0.75 PI4KA (0.46) PI4KAPI4K2BPI4K2API4KBPRKCQ
SCHEMBL4768901 0.73 NUDT1 (0.65) BTKRETLRRK2AURKADAPK3
SCHEMBL4813157 0.72 JAK3 (0.51) BTKRETLRRK2AURKADAPK3
SCHEMBL26675049 0.72 BTK (0.46) BTKAURKACSF1RKDRTNK2
SCHEMBL31437268 0.72 BTK (0.46) BTKAURKACSF1RKDRTNK2
SCHEMBL31243828 0.70 SYK (0.43) AURKAMAP4K4PIM1PRKACACDK7
SCHEMBL3677097 0.70 L3MBTL1 (0.46) RETLRRK2AURKACSF1RPTK2
SCHEMBL1694892 0.69 RET (0.46) BTKRETLRRK2AURKADAPK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100015141-A1 4-PHENOXY-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE AND N-ARYL-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-01-21 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-20100015141-A1 4-PHENOXY-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE AND N-ARYL-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, PIK3CA, PIK3CD BTK 76/4885RET 440/4885LRRK2 554/4885

“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.