SCHEMBL4385774

SCHEMBL4385774

OC(c1ccccc1)c1ncc2[nH]ccc2n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
PTGS2 P35354 1/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 2/20 0.36
MAPK1 P28482 1/20 0.36
MLKL Q8NB16 2/20 0.35
SLC2A1 P11166 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CHEK2 O96017 1/20 0.34
KDM4E B2RXH2 2/20 0.33
TSHR P16473 1/20 0.33
ADORA2A P29274 1/20 0.33
IDO1 P14902 1/20 0.33
PRMT5 O14744 1/20 0.32
CDK8 P49336 1/20 0.32

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
SCHEMBL5033486 0.76 CDK2 (0.49) SMN1; SMN2PTGS2LMNAHPGDMAPK1
SCHEMBL2611063 0.74 APP (0.35) SMN1; SMN2MAPK1ALDH1A1ADORA2A
SCHEMBL5033485 0.73 SLC2A1 (0.41) SMN1; SMN2PTGS2LMNAHPGDSLC2A1
SCHEMBL15071043 0.71 APP (0.33) MAPK1
Hydrochloric Acid SCHEMBL15055013 0.70 APP (0.33) MAPK1
SCHEMBL1750126 0.69 NPC1 (0.49) SMN1; SMN2LMNAMAPK1HDAC6CDK8
SCHEMBL20674568 0.68 MAPK1 (0.39) MAPK1HDAC6
SCHEMBL1493831 0.66 SMN1; SMN2 (0.54) SMN1; SMN2LMNAHPGDMAPK1ALDH1A1
SCHEMBL15820237 0.66 ALDH1A1 (0.40) HPGDMAPK1HDAC6ALDH1A1KDM4E
SCHEMBL21804784 0.66 HTR2C (0.40) SMN1; SMN2PTGS2LMNAHPGDSLC2A1

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-20090149458-A1 PYRROLO[3,2-d]PYRIMIDINE COMPOUNDS AND THEIR USE AS PI3 KINASE AND mTOR KINASE INHIBITORS WYETH (US) 2009-06-11 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-20090149458-A1 PYRROLO[3,2-d]PYRIMIDINE COMPOUNDS AND THEIR USE AS PI3 KINASE AND mTOR KINASE INHIBITORS MTOR, PIK3CA, PIK3CD SMN1; SMN2 2559/4885PTGS2 2251/4885LMNA 4677/4885

“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.