SCHEMBL2147308

SCHEMBL2147308

COC(=O)c1ncc(C(=O)c2ccc(F)cc2)c(C)c1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.47
CCNE2 O96020 1/20 0.47
CDK1 P06493 1/20 0.47
CCNB1 P14635 1/20 0.47
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47
CCNB3 Q8WWL7 1/20 0.47
LMNA P02545 4/20 0.46
HPGD P15428 1/20 0.46
MAPT P10636 3/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
NR1H2 P55055 1/20 0.41
CXCR2 P25025 1/20 0.41
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
TSHR P16473 2/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL2147306 0.88 CCNB2 (0.46) CCNB2CCNE2CDK1CCNB1CCNE1
SCHEMBL1503247 0.81 AR (0.45) LMNAHPGDKMT2ARAB9AMEN1
SCHEMBL2146810 0.80 LMNA (0.43) LMNAHPGDMAPTKMT2AL3MBTL1
SCHEMBL2147160 0.77 LMNA (0.40) LMNAHPGDMAPTKMT2AL3MBTL1
SCHEMBL27901076 0.77 ATM (0.48) LMNAMAPTL3MBTL1ATMCYP2C19
SCHEMBL2187912 0.76 MAPT (0.58) LMNAHPGDMAPTKMT2AL3MBTL1
SCHEMBL83038 0.76 LMNA (0.58) LMNAHPGDMAPTKMT2AL3MBTL1
SCHEMBL2146762 0.76 LMNA (0.50) LMNAHPGDMAPTKMT2AL3MBTL1
SCHEMBL1503281 0.76 LMNA (0.50) LMNAHPGDMAPTKMT2ATP53
SCHEMBL19755568 0.74 LMNA (0.53) CCNB2CCNE2CDK1CCNB1CCNE1

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-8664248-B2 Derivatives of pyridoxine for inhibiting HIV integrase TAIMED BIOLOGICS, INC. (TW) 2014-03-04 US disclosed
US-20120329827-A1 DERIVATIVES OF PYRIDOXINE FOR INHIBITING HIV INTEGRASE AMBRILIA BIOPHARMA, INC. (CA) 2012-12-27 US disclosed
EP-2526091-A1 DERIVATIVES OF PYRIDOXINE FOR INHIBITING HIV INTEGRASE TaiMed Biologics, Inc. (TW) 2012-11-28 EP disclosed
US-8283366-B2 Derivatives of pyridoxine for inhibiting HIV integrase AMBRILIA BIOPHARMA, INC. (CA) 2012-10-09 US disclosed
US-20110184028-A1 DERIVATIVES OF PYRIDOXINE FOR INHIBITING HIV INTEGRASE TAIMED BIOLOGICS, INC. (TW) 2011-07-28 US disclosed
WO-2011088549-A1 DERIVATIVES OF PYRIDOXINE FOR INHIBITING HIV INTEGRASE AMBRILIA BIOPHARMA INC. (CA) 2011-07-28 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-20110184028-A1 DERIVATIVES OF PYRIDOXINE FOR INHIBITING HIV INTEGRASE PNPO, IMPDH1, DPYD CCNB2 496/4885CCNE2 593/4885CDK1 95/4885
US-20120329827-A1 DERIVATIVES OF PYRIDOXINE FOR INHIBITING HIV INTEGRASE PNPO, IMPDH1, DPYD CCNB2 496/4885CCNE2 593/4885CDK1 95/4885

“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.