SCHEMBL10191568

SCHEMBL10191568

O=C(Nc1cccc(O)c1)c1ccc2cc(O)ccc2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.73
MEN1 O00255 3/20 0.73
SRC P12931 1/20 0.67
NPC1 O15118 4/20 0.65
RAB9A P51151 4/20 0.65
TP53 P04637 1/20 0.65
MAPK1 P28482 1/20 0.65
DEGS1 O15121 1/20 0.65
LMNA P02545 1/20 0.61
MAPT P10636 1/20 0.61
ALDH1A1 P00352 2/20 0.58
HTT P42858 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
CLK1 P49759 1/20 0.58
DYRK1A Q13627 1/20 0.58
DYRK1B Q9Y463 1/20 0.58
TOP1 P11387 1/20 0.57
PLAU P00749 4/20 0.56
PKM P14618 1/20 0.56
F2 P00734 2/20 0.54

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
SCHEMBL29068810 0.92 DEGS1 (0.72) KMT2AMEN1SRCNPC1RAB9A
SCHEMBL6556069 0.89 DEGS1 (0.77) KMT2AMEN1NPC1RAB9ADEGS1
SCHEMBL3656361 0.86 NPC1 (0.78) KMT2AMEN1SRCNPC1RAB9A
SCHEMBL7064726 0.86 DEGS1 (0.77) KMT2AMEN1NPC1RAB9ADEGS1
SCHEMBL12641799 0.86 NPC1 (0.66) KMT2AMEN1NPC1RAB9ATP53
SCHEMBL11675529 0.84 MEN1 (1.00) KMT2AMEN1NPC1RAB9ATP53
SCHEMBL6793906 0.84 MEN1 (0.93) KMT2AMEN1NPC1RAB9ATP53
SCHEMBL29800565 0.84 MEN1 (0.93) KMT2AMEN1NPC1RAB9ATP53
SCHEMBL21707396 0.83 MEN1 (0.89) KMT2AMEN1NPC1RAB9ATP53
SCHEMBL24628731 0.82 NPC1 (0.71) KMT2AMEN1NPC1RAB9ATP53

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 11 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-7901894-B2 Kinase inhibitors THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2011-03-08 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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 KMT2A 1935/4885MEN1 3808/4885SRC 171/4885
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 KMT2A 2581/4885MEN1 3387/4885SRC 118/4885

“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.