SCHEMBL83204

SCHEMBL83204

O=C(Nc1ccc(OCCO)nc1)N(c1ccccc1)c1ncc2c[nH]nc2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 2/20 0.38
CXCR2 P25025 2/20 0.38
HTR2C P28335 2/20 0.36
CCNE2 O96020 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
LMNA P02545 2/20 0.35
PABPC1 P11940 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GAA P10253 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
NPC1 O15118 1/20 0.34
PKM P14618 1/20 0.34
TRPV1 Q8NER1 4/20 0.34
EGFR P00533 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
SCHEMBL83205 0.87 CXCR1 (0.37) CXCR1CXCR2HTR2CROCK2ROCK1
SCHEMBL83601 0.85 POLB (0.40) MEN1KMT2A
SCHEMBL83895 0.84 MEN1 (0.42) CCNE2CCNE1CDK2ROCK2MEN1
SCHEMBL77812 0.81 NOTUM (0.44) LMNAGAAMEN1KMT2ANPC1
SCHEMBL79491 0.80 MEN1 (0.42) LMNAMEN1KMT2AHDAC1HDAC6
SCHEMBL80202 0.79 CCNE2 (0.34) CCNE2CCNE1CDK2NPSR1MEN1
SCHEMBL5014878 0.78 HDAC6 (0.34) CCNE2CCNE1CDK2LMNANPSR1
SCHEMBL79582 0.77 RAB9A (0.46) LMNANPC1
SCHEMBL82336 0.77 L3MBTL1 (0.47) EGFR
SCHEMBL82344 0.77 HDAC1 (0.35) CCNE2CCNE1CDK2ROCK2LMNA

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 2 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

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-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PIK3CD CXCR1 3180/4885CXCR2 1364/4885HTR2C 2227/4885

“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.