SCHEMBL3267586

SCHEMBL3267586

Cc1nc2c(O)cc(C(=O)N(C)C)cc2n1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.40
CDK2 P24941 3/20 0.40
CCNA2 P20248 2/20 0.35
TTK P33981 2/20 0.35
GPR119 Q8TDV5 3/20 0.33
HTR6 P50406 1/20 0.33
NR1H2 P55055 3/20 0.31
TLR9 Q9NR96 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
PDK2 Q15119 1/20 0.30
PDK4 Q16654 1/20 0.30

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
SCHEMBL3273621 0.84 KDM4E (0.41) NR1H2ALDH1A1GABRG2GABRB3GABRA5
SCHEMBL3267227 0.78 BRD4 (0.45) AURKACDK2CCNA2NR1H2TLR9
SCHEMBL3555267 0.77 ALDH1A1 (0.34) ALDH1A1KMT2APDK2
SCHEMBL4663206 0.73 ALPL (0.34) ALDH1A1
SCHEMBL25301126 0.73 ACLY (0.33) ALDH1A1
SCHEMBL30482620 0.73 ACLY (0.33) ALDH1A1
SCHEMBL25664103 0.72 ACSS2 (0.32)
SCHEMBL7489186 0.71 NR1H2 (0.36) NR1H2TLR9ALDH1A1KMT2AGABRG2
SCHEMBL25250692 0.71 ACLY (0.31)
SCHEMBL30482627 0.71 ACLY (0.31)

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
EP-1963311-B1 CHROMANE SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS ACID PUMP INHIBITORS RAQUALIA PHARMA INC (JP) 2010-06-16 EP disclosed
US-7723321-B2 Chromane substituted benzimidazole derivatives RAQUALIA PHARMA INC. (JP) 2010-05-25 US disclosed
EP-1963311-A1 CHROMANE SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS ACID PUMP INHIBITORS Pfizer, Inc. (US) 2008-09-03 EP disclosed
WO-2007072146-A1 CHROMANE SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS ACID PUMP INHIBITORS PFIZER JAPAN INC. (JP) 2007-06-28 WO disclosed
US-20070142448-A1 Chromane Substituted Benzimidazole Derivatives PFIZER INC. 2007-06-21 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-20070142448-A1 Chromane Substituted Benzimidazole Derivatives HRH2, HRH4, HRH1 AURKA 3922/4885CDK2 3050/4885CCNA2 3289/4885

“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.