SCHEMBL2735971

SCHEMBL2735971

O=C(Nc1cccc(O)c1)c1cc2ccc(O)cc2cc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 1.00
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
RAB9A P51151 4/20 0.56
POLB P06746 2/20 0.56
LMNA P02545 2/20 0.56
POLA1 P09884 2/20 0.56
TNF P01375 1/20 0.56
MAPT P10636 1/20 0.56
THRB P10828 1/20 0.56
HTT P42858 1/20 0.56
NOD1 Q9Y239 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
AKR1C3 P42330 1/20 0.55
NPC1 O15118 3/20 0.54
PLG P00747 3/20 0.53
KLK1 P06870 2/20 0.53
KLK6 Q92876 2/20 0.53
CASP3 P42574 1/20 0.51
SENP7 Q9BQF6 1/20 0.51

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
SCHEMBL11070985 0.91 SRC (0.83) SRCMEN1KMT2ARAB9APOLB
SCHEMBL2760088 0.90 SRC (0.81) SRCMEN1KMT2ARAB9APOLB
SCHEMBL24332744 0.89 SRC (0.80) SRCMEN1KMT2ARAB9APOLB
SCHEMBL3015247 0.82 SRC (0.70) SRCMEN1KMT2ARAB9APOLB
SCHEMBL12641899 0.82 SRC (0.70) SRCMEN1KMT2ARAB9APOLB
SCHEMBL2760104 0.81 SRC (0.68) SRCMEN1KMT2ARAB9APOLB
SCHEMBL12521448 0.80 RAB9A (0.70) SRCMEN1KMT2ARAB9APOLB
SCHEMBL10191568 0.80 KMT2A (0.73) SRCMEN1KMT2ARAB9ALMNA
SCHEMBL15478030 0.78 KMT2A (0.77) SRCMEN1KMT2ARAB9APOLB
SCHEMBL2681852 0.78 RAB9A (0.77) SRCMEN1KMT2ARAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10196357-B2 Biaryl compositions and methods for modulating a kinase cascade ATHENEX, INC. (US) 2019-02-05 US disclosed
EP-2041071-B1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE KINEX PHARMACEUTICALS LLC (US) 2014-06-18 EP 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-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-20100249130-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE KINEX PHARMACEUTICALS, LLC (US) 2010-09-30 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 (5 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 171/4885MEN1 3808/4885KMT2A 1935/4885
US-10196357-B2 Biaryl compositions and methods for modulating a kinase cascade MAP3K2, MAP3K3, MAP3K6 SRC 112/4885MEN1 2946/4885KMT2A 1783/4885
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 118/4885MEN1 3387/4885KMT2A 2581/4885
US-20100249130-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE MAP3K2, MAP3K3, MAP3K6 SRC 112/4885MEN1 2946/4885KMT2A 1783/4885
US-20110136807-A1 Bicyclic compositions and methods for modulating a kinase cascade MAP3K20, MAP3K6, MAP3K2 SRC 106/4885MEN1 2882/4885KMT2A 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.