SCHEMBL12565030

SCHEMBL12565030

CCOC(=O)[C@H]1CCC[C@@H]1N[C@@H](C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.47
▸ HPGD P15428 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ RECQL P46063 1/20 0.46
▸ GAA P10253 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ KCNQ3 O43525 1/20 0.43
▸ KCNQ2 O43526 1/20 0.43
▸ TAS1R3 Q7RTX0 1/20 0.43
▸ TAS1R1 Q7RTX1 1/20 0.43
▸ JAK1 P23458 1/20 0.42
▸ SLC6A2 P23975 2/20 0.42
▸ SLC6A4 P31645 2/20 0.42
▸ SLC6A3 Q01959 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ PKM P14618 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
SCHEMBL14341281 1.00 ALDH1A1 (0.47) ALDH1A1HPGDSMN1; SMN2NPC1TSHR
SCHEMBL12565042 1.00 ALDH1A1 (0.47) ALDH1A1HPGDSMN1; SMN2NPC1TSHR
SCHEMBL21104774 1.00 ALDH1A1 (0.47) ALDH1A1HPGDSMN1; SMN2NPC1TSHR
SCHEMBL12972608 1.00 ALDH1A1 (0.47) ALDH1A1HPGDSMN1; SMN2NPC1TSHR
SCHEMBL14341272 1.00 ALDH1A1 (0.47) ALDH1A1HPGDSMN1; SMN2NPC1TSHR
SCHEMBL990512 0.97 GAA (0.48) ALDH1A1HPGDSMN1; SMN2NPC1TSHR
SCHEMBL13137377 0.97 GAA (0.48) ALDH1A1HPGDSMN1; SMN2NPC1TSHR
SCHEMBL12993137 0.97 GAA (0.48) ALDH1A1HPGDSMN1; SMN2NPC1TSHR
SCHEMBL27857174 0.97 GAA (0.48) ALDH1A1HPGDSMN1; SMN2NPC1TSHR
SCHEMBL6872366 0.97 GAA (0.48) ALDH1A1HPGDSMN1; SMN2NPC1TSHR

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-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
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-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-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

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-20110152518-A1 Cycloalkyl Substituted Pyrimidinediamine Compounds And Their Uses MKI67, PCNA, TK1 ALDH1A1 1807/4885HPGD 1278/4885SMN1; SMN2 1904/4885
US-20080009494-A1 Cycloalkyl Substituted Pyrimidinediamine Compounds And Their Uses MKI67, PCNA, TK1 ALDH1A1 1807/4885HPGD 1278/4885SMN1; SMN2 1904/4885
US-20130210814-A1 Cycloalkyl Substituted Pyrimidinediamine Compounds And Their Uses MKI67, PCNA, TK1 ALDH1A1 1807/4885HPGD 1278/4885SMN1; SMN2 1904/4885

“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.

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