SCHEMBL2377690

SCHEMBL2377690

CC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccc(Br)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.60
HPGD P15428 2/20 0.60
NPC1 O15118 2/20 0.60
MAPT P10636 5/20 0.56
ALDH1A1 P00352 4/20 0.56
HTT P42858 4/20 0.55
GAA P10253 1/20 0.55
ALOX12 P18054 1/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
LMNA P02545 2/20 0.55
GPR183 P32249 2/20 0.52
MAPK1 P28482 1/20 0.50
KDM4E B2RXH2 1/20 0.50
RAB9A P51151 1/20 0.48
JAK1 P23458 1/20 0.48
DTYMK P23919 1/20 0.46

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
SCHEMBL21409223 0.91 SMN1; SMN2 (0.53) SMN1; SMN2HPGDNPC1MAPTALDH1A1
SCHEMBL19143990 0.86 MEN1 (0.55) SMN1; SMN2NPC1MAPTALDH1A1HTT
SCHEMBL22800915 0.86 MEN1 (0.55) SMN1; SMN2NPC1MAPTHTTMEN1
SCHEMBL5064405 0.86 KMT2A (0.60) SMN1; SMN2MAPTALDH1A1HTTMEN1
SCHEMBL4720508 0.86 HSD11B1 (0.60) SMN1; SMN2ALDH1A1GAAMEN1KMT2A
SCHEMBL2379085 0.84 KDM4E (0.55) HPGDMAPTALDH1A1HTTMEN1
SCHEMBL27502582 0.84 HRH3 (0.62) SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL1377495 0.84 HRH3 (0.60) SMN1; SMN2MAPTMEN1KMT2AJAK1
SCHEMBL1433245 0.83 POLB (0.58) HPGDALDH1A1HTTMEN1KMT2A
SCHEMBL24095255 0.83 MEN1 (0.51) SMN1; SMN2MAPTALDH1A1GAAMEN1

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
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP disclosed
CN-101501035-B Pyrimidine derivatives as PI3K inhibitors and uses thereof CHUGAI PHARMACEUTICAL CO LTD 2013-01-23 CN disclosed
US-8022205-B2 Pyrimidine derivatives as PI3K inhibitor and use thereof CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-09-20 US disclosed
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-18 US disclosed
CN-101501035-A Pyrimidine derivatives as P13K inhibitors and uses thereof CHUGAI PHARMACEUTICAL CO LTD (JP) 2009-08-05 CN disclosed
EP-2050749-A1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-22 EP 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 (1 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-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF PIK3CA, AKT3, AKT1 SMN1; SMN2 3098/4885HPGD 1383/4885NPC1 2269/4885

“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.