SCHEMBL13340910

SCHEMBL13340910

CC(C)c1ccc2c(c1)OC(C)(C)C(=O)N2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 12/20 0.48
PDE3B Q13370 2/20 0.45
PDE3A Q14432 2/20 0.45
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
SYK P43405 1/20 0.40
HPGD P15428 2/20 0.40
GFER P55789 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
XBP1 P17861 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
MDM2 Q00987 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL9920477 0.87 KDM4E (0.52) BRD4PDE3BPDE3AALDH1A1SMN1; SMN2
SCHEMBL18500505 0.83 BRD4 (0.51) BRD4PDE3BPDE3AALDH1A1SMN1; SMN2
SCHEMBL23612428 0.83 KMT2A (0.37) BRD4PDE3BPDE3AALDH1A1SMN1; SMN2
SCHEMBL17027037 0.79 HPGD (0.37) BRD4PDE3BPDE3AALDH1A1SMN1; SMN2
SCHEMBL2722518 0.78 BRD4 (0.60) BRD4PDE3BPDE3AALDH1A1SMN1; SMN2
SCHEMBL18307135 0.77 BRD4 (0.50) BRD4PDE3BPDE3AALDH1A1SMN1; SMN2
SCHEMBL755992 0.77 BRD4 (0.50) BRD4PDE3BPDE3AALDH1A1SMN1; SMN2
SCHEMBL17027265 0.77 BRD4 (0.56) BRD4PDE3BPDE3AALDH1A1SMN1; SMN2
SCHEMBL13574297 0.77 BRD4 (0.50) BRD4PDE3BPDE3AALDH1A1SMN1; SMN2
SCHEMBL1396628 0.77 BRD4 (0.56) BRD4PDE3BPDE3AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2017-03-09 US disclosed
EP-3107910-A1 NEW PHENYLAZETIDINE, CARBOXYLATE OR CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2016-12-28 EP disclosed
WO-2015124868-A1 NEW PHENYLAZETIDINE, CARBOXYLATE OR CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2015-08-27 WO disclosed
US-8993585-B2 Cyclic amine substituted pyrimidinediamines as PKC inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-20100130486-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. 2010-05-27 US disclosed
US-20100130486-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. 2010-05-27 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-20100130486-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS PRKCH, PKD2, PRKCQ BRD4 1173/4885PDE3B 113/4885PDE3A 138/4885
US-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS NCOR1, NCOR2, NCOA1 BRD4 120/4885PDE3B 2339/4885PDE3A 1882/4885

“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.