SCHEMBL217548

SCHEMBL217548

O=C(NCc1cccc(O)c1)Oc1cc2cc(O)ccc2[nH]1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.65
NLRP3 Q96P20 1/20 0.44
OPRK1 P41145 1/20 0.43
IDO1 P14902 2/20 0.43
CLK1 P49759 1/20 0.43
DYRK1A Q13627 1/20 0.43
GABRP O00591 2/20 0.42
GABRD O14764 2/20 0.42
GABRA1 P14867 2/20 0.42
GABRB1 P18505 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42
GABRA3 P34903 2/20 0.42
GABRA2 P47869 2/20 0.42
GABRB2 P47870 2/20 0.42
GABRA4 P48169 2/20 0.42
GABRE P78334 2/20 0.42
GABRA6 Q16445 2/20 0.42
GABRG1 Q8N1C3 2/20 0.42

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
SCHEMBL214259 0.89 SRC (0.52) SRCGABRPGABRDGABRA1GABRB1
SCHEMBL2735957 0.79 SRC (1.00) SRCIDO1CLK1DYRK1APDGFRB
SCHEMBL241141 0.73 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP3A4PKMALOX15
SCHEMBL5155719 0.72 SMAD3 (0.57) SRCCLK1DYRK1APDGFRBFLT3
SCHEMBL12763659 0.70 SRC (0.82) SRCIDO1CLK1DYRK1APDGFRB
SCHEMBL29381586 0.70 SRC (0.82) SRCIDO1FLT3KDM4EALDH1A1
SCHEMBL2735774 0.70 SRC (0.82) SRCIDO1FLT3KDM4EALDH1A1
SCHEMBL12763661 0.70 SRC (0.82) SRCIDO1PDGFRBFLT3KDM4E
SCHEMBL2735976 0.70 SRC (0.77) SRCIDO1KDM4EALDH1A1MAPT
SCHEMBL18886844 0.70 GAA (0.48) PDGFRBFLT3ABL1KITBCR

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 19 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-7901894-B2 Kinase inhibitors THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2011-03-08 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
EP-1147214-B1 A NOVEL METHOD FOR DESIGNING PROTEIN KINASE INHIBITORS UNIV NEW YORK STATE RES FOUND (US) 2011-01-05 EP 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-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-7129225-B2 Protection against and treatment of hearing loss THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2006-10-31 US disclosed
US-20060172971-A1 Protection against and treatment of hearing loss NICOTERA THOMAS 2006-08-03 US disclosed
US-7070936-B1 Method for designing protein kinase inhibitors THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2006-07-04 US disclosed
US-20060089401-A1 Kinase inhibitors THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2006-04-27 US disclosed
US-7005445-B2 Protein kinase and phosphatase inhibitors and methods for designing them THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2006-02-28 US disclosed
US-20060030544-A1 Protein kinase and phosphatase inhibitors and methods for designing them RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK, THE 2006-02-09 US disclosed
US-20040019015-A1 Protection against and treatment of hearing loss HEALTH RESEARCH, INC. (ROSWELL PARK DIVISION) 2004-01-29 US disclosed
US-20030166615-A1 Protein kinase and phosphatase inhibitors and methods for designing them RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK, THE 2003-09-04 US disclosed
EP-1147214-A1 A NOVEL METHOD FOR DESIGNING PROTEIN KINASE INHIBITORS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2001-10-24 EP disclosed
WO-2000042213-A1 A NOVEL METHOD FOR DESIGNING PROTEIN KINASE INHIBITORS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2000-07-20 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 (8 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 171/4885NLRP3 2859/4885OPRK1 3390/4885
US-20060030544-A1 Protein kinase and phosphatase inhibitors and methods for designing them PTPN5, PTPN2, PTPN6 SRC 186/4885NLRP3 2582/4885OPRK1 3511/4885
US-20060172971-A1 Protection against and treatment of hearing loss NTRK2, AIFM2, AIFM1 SRC 551/4885NLRP3 3580/4885OPRK1 3982/4885
US-20040019015-A1 Protection against and treatment of hearing loss NTRK2, AIFM2, AIFM1 SRC 551/4885NLRP3 3580/4885OPRK1 3982/4885
US-20060089401-A1 Kinase inhibitors MAP3K5, MAP3K20, MAP4K5 SRC 156/4885NLRP3 1887/4885OPRK1 3351/4885
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 118/4885NLRP3 1548/4885OPRK1 8/4885
US-20110136807-A1 Bicyclic compositions and methods for modulating a kinase cascade MAP3K20, MAP3K6, MAP3K2 SRC 106/4885NLRP3 3888/4885OPRK1 1379/4885
US-20030166615-A1 Protein kinase and phosphatase inhibitors and methods for designing them PTPN5, PTPN2, PTPN6 SRC 186/4885NLRP3 2582/4885OPRK1 3511/4885

“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.