SCHEMBL83595

SCHEMBL83595

O=C(NC1CC1)N(c1ccccc1)c1ncc2cn[nH]c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.40
SMYD3 Q9H7B4 2/20 0.37
CCNE2 O96020 2/20 0.36
CCNE1 P24864 2/20 0.36
CDK2 P24941 2/20 0.36
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
PAK1 Q13153 5/20 0.36
MAPK8 P45983 1/20 0.36
BTK Q06187 2/20 0.35
AGTR2 P50052 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
FLT3 P36888 1/20 0.34
CSF1R P07333 1/20 0.33

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
SCHEMBL83675 0.93 CDK2 (0.38) PKMSMYD3CCNE1CDK2CCNB2
SCHEMBL83622 0.90 CHRM4 (0.42) PKMROCK2ROCK1PAK1MEN1
SCHEMBL5014883 0.84 CSF1R (0.36) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL5030203 0.83 PKM (0.38) PKMMAPK8BTKAGTR2MEN1
SCHEMBL82345 0.83 CSF1R (0.39) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL79935 0.82 CSF1R (0.39) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL80255 0.81 ROCK2 (0.43) ROCK2ROCK1MEN1KMT2AFLT3
SCHEMBL81783 0.80 CSF1R (0.40) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL5028849 0.80 FLT3 (0.37) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL83293 0.80 GSK3A (0.38) CCNE2CCNE1CDK2ROCK2ROCK1

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 PKM 482/4885SMYD3 2503/4885CCNE2 1718/4885
US-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PDPK1 PKM 355/4885SMYD3 3617/4885CCNE2 2670/4885

“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.