SCHEMBL12438989

SCHEMBL12438989

CCOCC(=O)NC1CCC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.59
USP2 O75604 1/20 0.51
KMT2A Q03164 5/20 0.48
MEN1 O00255 3/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 2/20 0.44
ALDH1A1 P00352 1/20 0.44
EPHX1 P07099 1/20 0.44
GAA P10253 1/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL6003218 0.96 NPSR1 (0.65) NPSR1USP2KMT2AMEN1TSHR
SCHEMBL14309155 0.94 NPSR1 (0.68) NPSR1USP2KMT2AMEN1TSHR
SCHEMBL12440445 0.92 USP2 (0.54) NPSR1USP2KMT2AMEN1TSHR
SCHEMBL17741000 0.86 NPSR1 (0.62) NPSR1KMT2AMEN1TSHRHSD17B10
SCHEMBL17730252 0.85 USP2 (0.49) NPSR1USP2KMT2AMEN1TSHR
SCHEMBL17730249 0.85 USP2 (0.49) NPSR1USP2KMT2AMEN1TSHR
SCHEMBL18330454 0.82 USP2 (0.47) NPSR1USP2KMT2AMEN1L3MBTL1
SCHEMBL18330481 0.81 L3MBTL1 (0.49) NPSR1USP2KMT2AMEN1POLB
SCHEMBL9124248 0.81 NPSR1 (0.55) NPSR1KMT2AMEN1TSHRHSD17B10
SCHEMBL2092328 0.80 NPSR1 (0.89) NPSR1KMT2AMEN1TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190271-A1 2,4-Pyrimidinediamine Compounds and Uses as Anti-Proliferative Agents RIGEL PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
US-20080021020-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents RIGEL PHARMACEUTICALS, INC. (US) 2008-01-24 US disclosed
US-20080009484-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents 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-20080009484-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents MKI67, TYMP, PCNA NPSR1 4094/4885USP2 3853/4885KMT2A 999/4885
US-20080021020-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents MKI67, TYMP, PCNA NPSR1 4094/4885USP2 3853/4885KMT2A 999/4885
US-20110190271-A1 2,4-Pyrimidinediamine Compounds and Uses as Anti-Proliferative Agents MKI67, TYMP, PCNA NPSR1 4094/4885USP2 3853/4885KMT2A 999/4885

“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.