SCHEMBL2735795

SCHEMBL2735795

O=C(N[C@@H](c1ccccc1)[C@@H](O)c1ccccc1)c1cc2cc(F)ccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 3/20 0.55
KDM4E B2RXH2 1/20 0.53
PDPK1 O15530 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.53
NFKB1 P19838 1/20 0.53
APEX1 P27695 1/20 0.53
CYP2C19 P33261 1/20 0.53
HSD17B10 Q99714 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
FLT3 P36888 2/20 0.52
CYP51A1 Q16850 1/20 0.50
MLLT1 Q03111 1/20 0.49
ALB P02768 1/20 0.48
IL2 P60568 1/20 0.48
AR P10275 1/20 0.48
ATM Q13315 1/20 0.46
EGFR P00533 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
SCHEMBL14071696 1.00 PYGL (0.55) PYGLKDM4EPDPK1ALDH1A1LMNA
SCHEMBL2760052 1.00 PYGL (0.55) PYGLKDM4EPDPK1ALDH1A1LMNA
SCHEMBL2735794 1.00 PYGL (0.55) PYGLKDM4EPDPK1ALDH1A1LMNA
SCHEMBL14071695 1.00 PYGL (0.55) PYGLKDM4EPDPK1ALDH1A1LMNA
SCHEMBL2760032 1.00 PYGL (0.55) PYGLKDM4EPDPK1ALDH1A1LMNA
SCHEMBL17149666 0.83 PYGL (0.60) PYGLKDM4EPDPK1ALDH1A1LMNA
SCHEMBL17149882 0.83 PYGL (0.60) PYGLKDM4EPDPK1ALDH1A1LMNA
SCHEMBL17149890 0.83 PYGL (0.60) PYGLKDM4EPDPK1ALDH1A1LMNA
SCHEMBL6162101 0.79 PYGL (0.56) PYGLKDM4EPDPK1ALDH1A1LMNA
SCHEMBL1608673 0.79 KDM4E (0.53) PYGLKDM4EPDPK1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088768-B2 Protein kinase and phosphatase inhibitors THE RESEARCH FOUNDATION OF THE STATE UNIVERSITY OF NEW YORK (US) 2012-01-03 US disclosed
US-20110136807-A1 Bicyclic compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2011-06-09 US disclosed
US-20110028474-A1 PROTEIN KINASE AND PHOSPHATASE INHIBITORS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2011-02-03 US disclosed
US-7838542-B2 Bicyclic compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2010-11-23 US disclosed
US-7838542-B2 Bicyclic compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2010-11-23 US disclosed
US-7772216-B2 Protein kinase and phosphatase inhibitors and methods for designing them THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2010-08-10 US disclosed
US-7772216-B2 Protein kinase and phosphatase inhibitors and methods for designing them THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2010-08-10 US disclosed
US-7427608-B2 Protection against and treatment of hearing loss THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2008-09-23 US disclosed
US-20080004241-A1 2-carboxamide substituted indoles; osteoporosis, hepatitis B, ophthalmic disease, diabetes, atherosclerosis, obesity, chronic neuropathic pain, stroke; protein tyrosine kinase (PTK) inhibitors; 5-fluoro-3-phenylindole-2-carboxamides OAKTREE FUND ADMINISTRATION, LLC 2008-01-03 US disclosed
US-20080004241-A1 2-carboxamide substituted indoles; osteoporosis, hepatitis B, ophthalmic disease, diabetes, atherosclerosis, obesity, chronic neuropathic pain, stroke; protein tyrosine kinase (PTK) inhibitors; 5-fluoro-3-phenylindole-2-carboxamides OAKTREE FUND ADMINISTRATION, LLC 2008-01-03 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 (3 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-20110028474-A1 PROTEIN KINASE AND PHOSPHATASE INHIBITORS PTPN5, PTPN2, PTPN4 PYGL 530/4885KDM4E 1123/4885PDPK1 115/4885
US-20080004241-A1 2-carboxamide substituted indoles; osteoporosis, hepatitis B, ophthalmic disease, diabetes, atherosclerosis, obesity, chronic neuropathic pain, stroke; protein tyrosine kinase (PTK) inhibitors; 5-fluoro-3-phenylindole-2-carboxamides PTK2B, GRK2, FRK PYGL 229/4885KDM4E 2304/4885PDPK1 110/4885
US-20110136807-A1 Bicyclic compositions and methods for modulating a kinase cascade MAP3K20, MAP3K6, MAP3K2 PYGL 771/4885KDM4E 2169/4885PDPK1 80/4885

“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.