SCHEMBL2760145

SCHEMBL2760145

CNC(=O)c1cc2ccc(O)cc2cc1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.61
POLA1 P09884 1/20 0.59
KMT2A Q03164 7/20 0.49
MEN1 O00255 6/20 0.49
MAPT P10636 3/20 0.49
GAA P10253 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
MITF O75030 1/20 0.49
NCOA1 Q15788 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
EGFR P00533 1/20 0.48
POLB P06746 3/20 0.48
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44
MAPK1 P28482 1/20 0.44
MMP14 P50281 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL14363463 0.85 PLAU (0.57) SRCPOLA1KMT2AMEN1MAPT
SCHEMBL14880308 0.84 SRC (0.63) SRCPOLA1KMT2AMEN1MAPT
SCHEMBL2743107 0.84 KMT2A (0.68) KMT2AMEN1MAPTGAATDP1
SCHEMBL3014909 0.84 HSD17B1 (0.56) SRCPOLA1KMT2AMEN1MAPT
SCHEMBL29431713 0.83 GAA (0.46) SRCPOLA1KMT2AMEN1GAA
SCHEMBL2735965 0.82 SRC (0.57) SRCPOLA1KMT2AMEN1MAPT
SCHEMBL29779139 0.80 EGFR (0.62) GAAEGFRKDM4ELMNAALDH1A1
SCHEMBL9785879 0.80 EGFR (0.62) GAAEGFRKDM4ELMNAALDH1A1
SCHEMBL2273264 0.80 ALDH1A1 (0.66) KMT2AMEN1MAPTGAATDP1
SCHEMBL2735777 0.79 CA12 (0.66) SRCPOLA1KMT2AMEN1MAPT

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-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-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-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 SRC 171/4885POLA1 2799/4885KMT2A 1935/4885
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 SRC 118/4885POLA1 4673/4885KMT2A 2581/4885
US-20110136807-A1 Bicyclic compositions and methods for modulating a kinase cascade MAP3K20, MAP3K6, MAP3K2 SRC 106/4885POLA1 2035/4885KMT2A 2247/4885

“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.