SCHEMBL4292040

SCHEMBL4292040

COc1cnc2c(ccn2CCO)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 4/20 0.40
MTNR1A P48039 4/20 0.38
MTNR1B P49286 3/20 0.38
HTR2C P28335 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE10A Q9Y233 1/20 0.37
CCNE2 O96020 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
HTR2A P28223 1/20 0.37

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
SCHEMBL24110617 0.85 HTR2C (0.40) GLO1MTNR1AMTNR1BHTR2CKDM4E
SCHEMBL15342950 0.83 CCNE2 (0.39) GLO1CCNE2CCNE1CDK2
SCHEMBL24109831 0.83 HTR2C (0.57) GLO1HTR2CKDM4EMEN1MAPT
SCHEMBL24110214 0.83 MTNR1A (0.41) GLO1MTNR1AMTNR1BHTR2CKDM4E
SCHEMBL30403505 0.83 HTR2C (0.57) GLO1HTR2CKDM4EMEN1MAPT
SCHEMBL15339570 0.80 CCR1 (0.39) GLO1MTNR1AKDM4EKMT2APDE10A
SCHEMBL4377158 0.80 HTR7 (0.55)
SCHEMBL8133385 0.78 APP (0.41) MTNR1AMAPT
SCHEMBL24110210 0.77 HTR2C (0.62) HTR2CHTR2A
SCHEMBL25296103 0.77 HTR2C (0.62) HTR2CHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009155052-A1 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-23 WO disclosed
WO-2009155052-A1 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-23 WO disclosed
US-20090298820-A1 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-03 US disclosed
US-20090298820-A1 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-03 US disclosed
US-20090298820-A1 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-03 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-20090298820-A1 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, PIK3CA, PIK3C2B GLO1 4671/4885MTNR1A 3843/4885MTNR1B 2636/4885

“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.