SCHEMBL81783

SCHEMBL81783

NC(=O)N(c1ccccc1)c1ncc2cn[nH]c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 2/20 0.40
ROCK1 Q13464 2/20 0.36
FLT3 P36888 2/20 0.36
PLK4 O00444 1/20 0.36
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36
MAP4K4 O95819 1/20 0.36
RET P07949 1/20 0.36
FGFR1 P11362 1/20 0.36
PDGFRA P16234 1/20 0.36
LTK P29376 1/20 0.36
KDR P35968 1/20 0.36
MAP2K2 P36507 1/20 0.36
CSNK1A1 P48729 1/20 0.36
PRKX P51817 1/20 0.36
CDK5 Q00535 1/20 0.36
MAP2K1 Q02750 1/20 0.36
MST1R Q04912 1/20 0.36
PTK2 Q05397 1/20 0.36

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
SCHEMBL79935 0.89 CSF1R (0.39) CSF1RROCK1FLT3NPSR1HDAC1
SCHEMBL5013510 0.85 CSF1R (0.38) CSF1RROCK1FLT3NPSR1HDAC1
SCHEMBL5014883 0.85 CSF1R (0.36) CSF1RROCK1FLT3NPSR1HDAC1
SCHEMBL82345 0.84 CSF1R (0.39) CSF1RROCK1FLT3NPSR1HDAC1
SCHEMBL5015721 0.84 CSF1R (0.41) CSF1RROCK1NPSR1HDAC1HDAC6
SCHEMBL5015656 0.83 CSF1R (0.39) CSF1RROCK1FLT3HDAC1HDAC6
SCHEMBL80255 0.83 ROCK2 (0.43) ROCK1FLT3HDAC1HDAC6ROCK2
SCHEMBL80203 0.82 HDAC6 (0.34) CSF1RROCK1NPSR1HDAC1HDAC6
SCHEMBL5028849 0.81 FLT3 (0.37) CSF1RFLT3NPSR1HDAC1HDAC6
SCHEMBL83293 0.81 GSK3A (0.38) CSF1RROCK1HDAC1HDAC6MAPK1

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-8129371-B2 Thienopyrimidine and pyrazolopyrimidine compounds and their use as mTOR kinase and PI3 kinase inhibitors WYETH LLC (US) 2012-03-06 US disclosed
US-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2009-04-16 US disclosed
US-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 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 (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-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PIK3CD CSF1R 4123/4885ROCK1 1271/4885FLT3 444/4885
US-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PDPK1 CSF1R 3094/4885ROCK1 1361/4885FLT3 404/4885

“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.