SCHEMBL3871772

SCHEMBL3871772

CC(=O)NC(=Cc1ccccc1C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.41
ALDH1A1 P00352 5/20 0.41
TSHR P16473 1/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GMNN O75496 1/20 0.38
LMNA P02545 1/20 0.38
PMP22 Q01453 1/20 0.38
AKR1C3 P42330 1/20 0.38
MAPT P10636 1/20 0.37
ERCC5 P28715 1/20 0.37
FEN1 P39748 1/20 0.37
EGFR P00533 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36

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
SCHEMBL3871770 1.00 EPHX1 (0.41) EPHX1ALDH1A1TSHRHPGDMEN1
SCHEMBL187942 1.00 EPHX1 (0.41) EPHX1ALDH1A1TSHRHPGDMEN1
SCHEMBL6417917 0.85 EPHX1 (0.41) EPHX1ALDH1A1TSHRHPGDMEN1
SCHEMBL6417925 0.85 EPHX1 (0.41) EPHX1ALDH1A1TSHRHPGDMEN1
SCHEMBL6417921 0.85 EPHX1 (0.41) EPHX1ALDH1A1TSHRHPGDMEN1
SCHEMBL2152897 0.82 HSD11B1 (0.46) EPHX1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2152900 0.82 HSD11B1 (0.46) EPHX1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2153035 0.82 MAPT (0.45) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL2153032 0.82 MAPT (0.45) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL10477451 0.81 EPHX1 (0.39) EPHX1ALDH1A1HPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247518-A1 6-(2-ALKYL-PHENYL)-PYRIDO[2,3-D]PYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS HONOLD KONRAD 2009-10-01 US disclosed
US-7550589-B2 6-(2-alkyl-phenyl)-pyrido[2,3-D]pyrimidines useful as protein kinase inhibitors HOFFMAN-LA ROCHE INC. (US) 2009-06-23 US disclosed
US-20070259899-A1 6-(2-Alkyl-Phenyl)-Pyrido[2,3-D]Pyrimidines useful as Proteine Kinase Inhibitors HOFFMANN-LA ROCHE INC. 2007-11-08 US disclosed
EP-1794160-A1 6-(2-ALKYL-PHENYL) - PYRIDO[2,3-D] PYRIMIDINES USEFUL AS PROTEINE KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-06-13 EP disclosed
WO-2006032452-A1 6-(2-ALKYL-PHENYL) - PYRIDO[2,3-D] PYRIMIDINES USEFUL AS PROTEINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-30 WO disclosed
WO-2005118584-A2 SAFRAMYCIN ANALOGS AS THERAPEUTIC AGENTS IN THE TREATMENT OF CANCER AXYS PHARMACEUTICALS, INC. (US) 2005-12-15 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 (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-20090247518-A1 6-(2-ALKYL-PHENYL)-PYRIDO[2,3-D]PYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS MAP4K2, MAP3K6, MAP3K1 EPHX1 2117/4885ALDH1A1 1743/4885TSHR 4151/4885
US-20070259899-A1 6-(2-Alkyl-Phenyl)-Pyrido[2,3-D]Pyrimidines useful as Proteine Kinase Inhibitors MAP3K6, MAP4K2, CDK2 EPHX1 2383/4885ALDH1A1 2387/4885TSHR 3796/4885

“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.