SCHEMBL13282255

SCHEMBL13282255

CCOC(=O)[C@H]1CCC[C@@H]1NCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.47
F9 P00740 3/20 0.45
F10 P00742 2/20 0.45
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
TAS1R3 Q7RTX0 2/20 0.44
TAS1R1 Q7RTX1 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 2/20 0.43
JAK1 P23458 1/20 0.43
USP2 O75604 1/20 0.43
HPGD P15428 1/20 0.43
PKM P14618 2/20 0.43
F2 P00734 1/20 0.43
MAPT P10636 1/20 0.43
LTA4H P09960 1/20 0.43
PPID Q08752 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL4489378 1.00 CTSB (0.47) CTSBF9F10PRSS1PRSS2
SCHEMBL7890595 1.00 CTSB (0.47) CTSBF9F10PRSS1PRSS2
SCHEMBL16839778 0.90 ATM (0.49) CTSBF9F10PRSS1PRSS2
SCHEMBL16839746 0.90 ATM (0.49) CTSBF9F10PRSS1PRSS2
SCHEMBL335299 0.87 SSTR3 (0.53) CTSBTAS1R3TAS1R1SMN1; SMN2ALDH1A1
SCHEMBL4482285 0.87 KMT2A (0.55) CTSBTAS1R3TAS1R1ALDH1A1JAK1
SCHEMBL334690 0.87 SSTR3 (0.53) CTSBTAS1R3TAS1R1SMN1; SMN2ALDH1A1
SCHEMBL334689 0.87 SSTR3 (0.53) CTSBTAS1R3TAS1R1SMN1; SMN2ALDH1A1
SCHEMBL335298 0.87 SSTR3 (0.53) CTSBTAS1R3TAS1R1SMN1; SMN2ALDH1A1
SCHEMBL334688 0.87 SSTR3 (0.53) CTSBTAS1R3TAS1R1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20070299060-A1 Cycloalkyl Substituted Pyrimidinediamine Compounds And Their Uses MKI67, PCNA, TK1 CTSB 1280/4885F9 4876/4885F10 4840/4885
US-20080009494-A1 Cycloalkyl Substituted Pyrimidinediamine Compounds And Their Uses MKI67, PCNA, TK1 CTSB 1280/4885F9 4876/4885F10 4840/4885

“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.