SCHEMBL2735786

SCHEMBL2735786

COC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 4/20 0.70
ALDH1A1 P00352 4/20 0.55
HPGD P15428 2/20 0.55
CYP1A2 P05177 1/20 0.55
XBP1 P17861 1/20 0.55
CYP2C19 P33261 1/20 0.55
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
KDM4E B2RXH2 5/20 0.54
HTT P42858 1/20 0.54
GFER P55789 1/20 0.54
HSD17B10 Q99714 1/20 0.54
PADI4 Q9UM07 4/20 0.53
LMNA P02545 3/20 0.51
PTGS2 P35354 1/20 0.50
MAPT P10636 2/20 0.49
PKM P14618 1/20 0.49
MAPK1 P28482 1/20 0.49
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49

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
SCHEMBL9272955 0.92 MAP2 (0.58) MAP2ALDH1A1HPGDCYP1A2XBP1
SCHEMBL20569774 0.86 NR4A2 (0.58) MAP2ALDH1A1HPGDCYP1A2XBP1
SCHEMBL4592331 0.86 ALDH1A1 (0.74) MAP2ALDH1A1HPGDCYP1A2XBP1
SCHEMBL20569769 0.85 ALDH1A1 (0.50) MAP2ALDH1A1HPGDCYP1A2XBP1
SCHEMBL14304852 0.85 MAP2 (0.75) MAP2ALDH1A1HPGDMEN1KMT2A
SCHEMBL215691 0.85 MAP2 (0.79) MAP2ALDH1A1HPGDMEN1KMT2A
SCHEMBL24074569 0.84 MAP2 (0.70) MAP2ALDH1A1HPGDMEN1KMT2A
SCHEMBL6760822 0.84 ALDH1A1 (0.58) MAP2ALDH1A1HPGDCYP1A2XBP1
SCHEMBL9264953 0.83 ALDH1A1 (0.63) MAP2ALDH1A1HPGDCYP1A2XBP1
SCHEMBL215430 0.82 MAP2 (1.00) MAP2ALDH1A1HPGDMEN1KMT2A

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 15 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-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-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-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-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
WO-2008002674-A2 BICYCLIC COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE KINEX PHARMACEUTICALS, LLC (US) 2008-01-03 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 (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 MAP2 672/4885ALDH1A1 4474/4885HPGD 3831/4885
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 MAP2 163/4885ALDH1A1 4443/4885HPGD 2080/4885
US-20110136807-A1 Bicyclic compositions and methods for modulating a kinase cascade MAP3K20, MAP3K6, MAP3K2 MAP2 806/4885ALDH1A1 4720/4885HPGD 3268/4885

“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.