SCHEMBL3579834

SCHEMBL3579834

O=C(O)[C@H]1CCC[C@H]1Nc1nc(Cl)ncc1F

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.56
KDR P35968 2/20 0.39
AURKB Q96GD4 2/20 0.39
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DGAT1 O75907 1/20 0.38
KCNH2 Q12809 1/20 0.38
HCRTR1 O43613 3/20 0.34
PTGES O14684 1/20 0.34
GRM4 Q14833 1/20 0.34
EGFR P00533 1/20 0.34
BTK Q06187 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34

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
SCHEMBL12565021 1.00 KMT2A (0.56) KMT2AKDRAURKBALDH1A1L3MBTL1
SCHEMBL12565020 0.89 KMT2A (0.54) KMT2AKDRAURKBALDH1A1L3MBTL1
SCHEMBL12565045 0.89 KMT2A (0.54) KMT2AKDRAURKBALDH1A1L3MBTL1
SCHEMBL12565029 0.89 KMT2A (0.54) KMT2AKDRAURKBALDH1A1L3MBTL1
SCHEMBL12565014 0.89 KMT2A (0.54) KMT2AKDRAURKBALDH1A1L3MBTL1
SCHEMBL13917381 0.89 KMT2A (0.54) KMT2AKDRAURKBALDH1A1L3MBTL1
SCHEMBL3564725 0.87 KDR (0.49) KMT2AKDRAURKBDGAT1KCNH2
SCHEMBL3580218 0.85 AURKB (0.39) KMT2AKDRAURKBDGAT1KCNH2
SCHEMBL3575430 0.84 KMT2A (0.50) KMT2AKDRAURKBALDH1A1L3MBTL1
SCHEMBL12606813 0.83 JAK1 (0.49) KMT2AKDRAURKBALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9725419-B2 Cycloalkyl substituted pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2017-08-08 US disclosed
US-9725419-B2 Cycloalkyl substituted pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2017-08-08 US disclosed
US-20130210814-A1 Cycloalkyl Substituted Pyrimidinediamine Compounds And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2013-08-15 US disclosed
US-20130210814-A1 Cycloalkyl Substituted Pyrimidinediamine Compounds And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2013-08-15 US disclosed
US-8410093-B2 Cycloalkyl substituted pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2013-04-02 US disclosed
US-8410093-B2 Cycloalkyl substituted pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2013-04-02 US disclosed
EP-2109605-B1 2- [(PHENYLAMINO) -PYRIMIDIN-4YLAMIN0] -CYCLOPENTANE CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF KINASES OF THE CELL CYCLE FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INT (DE) 2013-02-20 EP disclosed
US-20110152518-A1 Cycloalkyl Substituted Pyrimidinediamine Compounds And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2011-06-23 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-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-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-20100144706-A1 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-10 US disclosed
US-7511137-B2 Stereoisomers and stereoisomeric mixtures of 1-(2,4-pyrimidinediamino)-2-cyclopentanecarboxamide synthetic intermediates RIGEL PHARMACEUTICALS, INC. (US) 2009-03-31 US disclosed
US-7511137-B2 Stereoisomers and stereoisomeric mixtures of 1-(2,4-pyrimidinediamino)-2-cyclopentanecarboxamide synthetic intermediates RIGEL PHARMACEUTICALS, INC. (US) 2009-03-31 US disclosed
US-20080009494-A1 Cycloalkyl Substituted Pyrimidinediamine Compounds And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2008-01-10 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-20070299060-A1 Cycloalkyl Substituted Pyrimidinediamine Compounds And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2007-12-27 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-20110152518-A1 Cycloalkyl Substituted Pyrimidinediamine Compounds And Their Uses MKI67, PCNA, TK1 KMT2A 2167/4885KDR 1710/4885AURKB 145/4885
US-20100144706-A1 Compounds MKI67, CCNA1, CCNT1 KMT2A 3248/4885KDR 2478/4885AURKB 1956/4885
US-20070299060-A1 Cycloalkyl Substituted Pyrimidinediamine Compounds And Their Uses MKI67, PCNA, TK1 KMT2A 2167/4885KDR 1710/4885AURKB 145/4885
US-20080009494-A1 Cycloalkyl Substituted Pyrimidinediamine Compounds And Their Uses MKI67, PCNA, TK1 KMT2A 2167/4885KDR 1710/4885AURKB 145/4885
US-20130210814-A1 Cycloalkyl Substituted Pyrimidinediamine Compounds And Their Uses MKI67, PCNA, TK1 KMT2A 2167/4885KDR 1710/4885AURKB 145/4885

“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.