SCHEMBL10139335

SCHEMBL10139335

COc1ccc([C@@H](C)C(C)(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
ALDH1A1 P00352 1/20 0.52
TSHR P16473 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA12 O43570 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
NPSR1 Q6W5P4 1/20 0.46
SLC2A1 P11166 1/20 0.44
AOC3 Q16853 2/20 0.43
ACHE P22303 2/20 0.43
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 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
SCHEMBL12766982 1.00 MAPK1 (0.52) MAPK1TDP1ALDH1A1TSHRL3MBTL1
SCHEMBL10139336 1.00 MAPK1 (0.52) MAPK1TDP1ALDH1A1TSHRL3MBTL1
SCHEMBL11943526 0.81 MAPK1 (0.34) MAPK1TDP1ALDH1A1TSHRL3MBTL1
SCHEMBL6814333 0.80 MAPK1 (0.50) MAPK1TDP1ALDH1A1TSHRL3MBTL1
SCHEMBL18412091 0.80 ACACB (0.44) MAPK1TDP1ALDH1A1TSHRL3MBTL1
SCHEMBL13003758 0.79 POLB (0.49) MAPK1TDP1ALDH1A1TSHRL3MBTL1
SCHEMBL3481587 0.79 ALDH1A1 (0.46) MAPK1TDP1ALDH1A1TSHRL3MBTL1
SCHEMBL17778581 0.79 MAPK1 (0.65) MAPK1TDP1ALDH1A1TSHRL3MBTL1
SCHEMBL16642197 0.79 TDP1 (0.54) MAPK1TDP1ALDH1A1TSHRL3MBTL1
SCHEMBL21510481 0.78 FFAR1 (0.35) MAPK1TDP1ALDH1A1TSHRL3MBTL1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11840536-B2 Heterocyclic inhibitors of PTPN11 BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-12-12 US disclosed
US-11840536-B2 Heterocyclic inhibitors of PTPN11 BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-12-12 US disclosed
US-10954243-B2 Substituted heterocyclic inhibitors of PTPN11 NAVIRE PHARMA, INC. (US) 2021-03-23 US disclosed
US-20210017182-A1 HETEROCYCLIC INHIBITORS OF PTPN11 BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2021-01-21 US disclosed
US-10851110-B2 Heterocyclic inhibitors of PTPN11 BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-12-01 US disclosed
US-20190270746-A1 HETEROCYCLIC INHIBITORS OF PTPN11 BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2019-09-05 US disclosed
US-10280171-B2 Heterocyclic inhibitors of PTPN11 BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-05-07 US disclosed
US-9834568-B2 Kinase inhibitors and their uses RIGEL PHARMACEUTICALS, INC. (US) 2017-12-05 US disclosed
US-9834568-B2 Kinase inhibitors and their uses RIGEL PHARMACEUTICALS, INC. (US) 2017-12-05 US disclosed
US-20170342078-A1 HETEROCYCLIC INHIBITORS OF PTPN11 BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2017-11-30 US disclosed
US-20110152518-A1 Cycloalkyl Substituted Pyrimidinediamine Compounds And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2011-06-23 US disclosed
US-7868013-B2 Cycloalkyl substituted pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2011-01-11 US disclosed
US-7858633-B2 Cycloalkyl substituted pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2010-12-28 US disclosed
US-7858633-B2 Cycloalkyl substituted pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2010-12-28 US disclosed
US-7754714-B2 (1S, 2R)-N4-(2-Aminocarbonylcyclopent-1-yl)-5-fluoro-N2-[4-(4-methylpiperazin-1-yl)-3-methylphenyl]-2,4-pyrimidinediamine, having antiproliferative activity, used to inhibit cellular proliferation and to treat proliferate diseases such as cancers RIGEL PHARMACEUTICALS, INC. (US) 2010-07-13 US disclosed
US-20100069369-A1 Kinase Inhibitors And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2010-03-18 US disclosed
US-7601713-B2 Kinase inhibitors and their uses RIGEL PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-20080009494-A1 Cycloalkyl Substituted Pyrimidinediamine Compounds And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2008-01-10 US disclosed
US-20070299060-A1 Cycloalkyl Substituted Pyrimidinediamine Compounds And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2007-12-27 US disclosed
US-20070142402-A1 Kinase Inhibitors And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2007-06-21 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 (12 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-20170342078-A1 HETEROCYCLIC INHIBITORS OF PTPN11 PTPRJ, PTPN11, PTPRCAP MAPK1 230/4885TDP1 592/4885ALDH1A1 2947/4885
US-20110152518-A1 Cycloalkyl Substituted Pyrimidinediamine Compounds And Their Uses MKI67, PCNA, TK1 MAPK1 1959/4885TDP1 359/4885ALDH1A1 1807/4885
US-20210017182-A1 HETEROCYCLIC INHIBITORS OF PTPN11 PTPRJ, PTPN11, PTPRCAP MAPK1 230/4885TDP1 592/4885ALDH1A1 2947/4885
US-10851110-B2 Heterocyclic inhibitors of PTPN11 PTPRJ, PTPN11, PTPRCAP MAPK1 230/4885TDP1 592/4885ALDH1A1 2947/4885
US-20070299060-A1 Cycloalkyl Substituted Pyrimidinediamine Compounds And Their Uses MKI67, PCNA, TK1 MAPK1 1959/4885TDP1 359/4885ALDH1A1 1807/4885
US-20080009494-A1 Cycloalkyl Substituted Pyrimidinediamine Compounds And Their Uses MKI67, PCNA, TK1 MAPK1 1959/4885TDP1 359/4885ALDH1A1 1807/4885
US-10954243-B2 Substituted heterocyclic inhibitors of PTPN11 PTPN11, PTPRJ, PTPRCAP MAPK1 214/4885TDP1 583/4885ALDH1A1 3201/4885
US-20100069369-A1 Kinase Inhibitors And Their Uses BTK, SYK, JAK2 MAPK1 62/4885TDP1 1811/4885ALDH1A1 4480/4885
US-20070142402-A1 Kinase Inhibitors And Their Uses BTK, SYK, LYN MAPK1 192/4885TDP1 1066/4885ALDH1A1 4690/4885
US-20190270746-A1 HETEROCYCLIC INHIBITORS OF PTPN11 PTPRJ, PTPN11, PTPRCAP MAPK1 230/4885TDP1 592/4885ALDH1A1 2947/4885
US-10280171-B2 Heterocyclic inhibitors of PTPN11 PTPRJ, PTPN11, PTPRCAP MAPK1 230/4885TDP1 592/4885ALDH1A1 2947/4885
US-11840536-B2 Heterocyclic inhibitors of PTPN11 PTPRJ, PTPN11, PTPRCAP MAPK1 230/4885TDP1 592/4885ALDH1A1 2947/4885

“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.