SCHEMBL5115630

SCHEMBL5115630

CCOC(=O)c1cc(N)cn1Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
POLB P06746 2/20 0.52
ALDH1A1 P00352 5/20 0.50
TSHR P16473 3/20 0.50
MAPT P10636 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
MAPK1 P28482 2/20 0.50
ATM Q13315 1/20 0.50
KDM4E B2RXH2 2/20 0.49
LMNA P02545 2/20 0.49
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
F2RL3 Q96RI0 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PRMT1 Q99873 1/20 0.46
NOD2 Q9HC29 1/20 0.46
NOD1 Q9Y239 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL1562627 0.86 SMN1; SMN2 (0.54) SMN1; SMN2POLBALDH1A1TSHRMAPT
SCHEMBL5121414 0.85 ALDH1A1 (0.46) ALDH1A1TSHRKDM4EMEN1KMT2A
SCHEMBL4673898 0.83 SMN1; SMN2 (0.51) SMN1; SMN2POLBALDH1A1TSHRMAPT
SCHEMBL1417324 0.81 LMNA (0.46) SMN1; SMN2POLBALDH1A1TSHRMAPT
SCHEMBL1417348 0.80 AR (0.54) SMN1; SMN2POLBALDH1A1TSHRMAPT
SCHEMBL15848888 0.77 EPHX2 (0.57) SMN1; SMN2POLBALDH1A1TSHRMAPT
SCHEMBL23174424 0.75 TSHR (0.62) SMN1; SMN2POLBALDH1A1TSHRMAPT
SCHEMBL12438310 0.75 LMNA (0.41) SMN1; SMN2POLBALDH1A1MAPTMAPK1
SCHEMBL18295094 0.75 F2RL3 (0.56) SMN1; SMN2POLBALDH1A1TSHRMAPT
SCHEMBL2117362 0.75 MAPK1 (0.52) SMN1; SMN2POLBALDH1A1TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255162-A1 Pyrrolyl Substituted Pyrido[2,3-D]Pyrimidin-7-Ones and Derivatives Thereof as Therapeutic Agents WARNER-LAMBERT COMPANY LLC 2008-10-16 US disclosed
EP-1749004-B1 PYRROLYL SUBSTITUTED PYRIDO[2,3-D]PYRIMIDIN-7-ONES AND DERIVATIVES THEREOF AS THERAPEUTIC AGENTS WARNER LAMBERT CO (US) 2007-09-19 EP disclosed
EP-1749004-A1 PYRROLYL SUBSTITUTED PYRIDO[2,3-D]PYRIMIDIN-7-ONES AND DERIVATIVES THEREOF AS THERAPEUTIC AGENTS Warner-Lambert Company LLC (US) 2007-02-07 EP disclosed
WO-2005105801-A1 PYRROLYL SUBSTITUTED PYRIDO[2,3-D]PYRIMIDIN-7-ONES AND DERIVATIVES THEREOF AS THERAPEUTIC AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-11-10 WO 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-20080255162-A1 Pyrrolyl Substituted Pyrido[2,3-D]Pyrimidin-7-Ones and Derivatives Thereof as Therapeutic Agents TYMS, DPYD, TYMP SMN1; SMN2 3132/4885POLB 1762/4885ALDH1A1 749/4885

“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.