SCHEMBL217291

SCHEMBL217291

Bc1ccc2[nH]c(C(=O)OC)cc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.63
KDM4E B2RXH2 3/20 0.50
PDGFRB P09619 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
RAB9A P51151 2/20 0.50
PDGFRA P16234 2/20 0.50
LMNA P02545 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
NPC1 O15118 1/20 0.50
HTT P42858 1/20 0.50
MMP13 P45452 4/20 0.47
HRH3 Q9Y5N1 1/20 0.47
MMP2 P08253 3/20 0.46
PIN1 Q13526 1/20 0.45
FLT3 P36888 3/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 2/20 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
SCHEMBL14647683 0.83 KDM4E (0.74) KDM4EALDH1A1HPGDRAB9ALMNA
SCHEMBL31310313 0.82 RAB9A (0.72) XDHKDM4EPDGFRBALDH1A1HPGD
SCHEMBL31207830 0.82 FLT3 (0.67) XDHKDM4EPDGFRBALDH1A1HPGD
SCHEMBL30694751 0.82 XDH (0.61) XDHKDM4EPDGFRBALDH1A1HPGD
SCHEMBL214096 0.82 RAB9A (0.72) XDHKDM4EPDGFRBALDH1A1HPGD
SCHEMBL217022 0.82 FLT3 (0.67) XDHKDM4EPDGFRBALDH1A1HPGD
SCHEMBL3963537 0.81 F7 (0.66) XDHPDGFRBRAB9ASMN1; SMN2NPC1
SCHEMBL2731044 0.81 KDM4E (0.66) XDHKDM4EALDH1A1HPGDRAB9A
SCHEMBL1104006 0.81 PDGFRB (0.77) XDHKDM4EPDGFRBALDH1A1HPGD
SCHEMBL617200 0.81 XDH (0.59) XDHKDM4EPDGFRBALDH1A1HPGD

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 23 patents — showing the first 20. 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
EP-2038254-A2 BICYCLIC COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE Kinex Pharmaceuticals, LLC (US) 2009-03-25 EP 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
WO-2008002674-A2 BICYCLIC COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE KINEX PHARMACEUTICALS, LLC (US) 2008-01-03 WO 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
EP-1444204-A1 PROTEIN KINASE AND PHOSPHATASE INHIBITORS, METHODS FOR DESIGNING THEM, AND METHODS OF USING THEM THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2004-08-11 EP 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
WO-2003035621-A1 PROTEIN KINASE AND PHOSPHATASE INHIBITORS, METHODS FOR DESIGNING THEM, AND METHODS OF USING THEM THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2003-05-01 WO 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 (6 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 XDH 3574/4885KDM4E 1123/4885PDGFRB 1980/4885
US-20060030544-A1 Protein kinase and phosphatase inhibitors and methods for designing them PTPN5, PTPN2, PTPN6 XDH 3623/4885KDM4E 1359/4885PDGFRB 1935/4885
US-20040019015-A1 Protection against and treatment of hearing loss NTRK2, AIFM2, AIFM1 XDH 580/4885KDM4E 2603/4885PDGFRB 2622/4885
US-20060089401-A1 Kinase inhibitors MAP3K5, MAP3K20, MAP4K5 XDH 3920/4885KDM4E 1668/4885PDGFRB 1461/4885
US-20110136807-A1 Bicyclic compositions and methods for modulating a kinase cascade MAP3K20, MAP3K6, MAP3K2 XDH 3206/4885KDM4E 2169/4885PDGFRB 976/4885
US-20030166615-A1 Protein kinase and phosphatase inhibitors and methods for designing them PTPN5, PTPN2, PTPN6 XDH 3623/4885KDM4E 1359/4885PDGFRB 1935/4885

“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.