SCHEMBL86887

SCHEMBL86887

NC1=Nc2cc(N3CCOCC3)ccc2C2=NCCN12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 3/20 0.47
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
PRKDC P78527 3/20 0.39
CDK1 P06493 1/20 0.39
CDK2 P24941 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
FYN P06241 1/20 0.37
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PSMD14 O00487 1/20 0.36
XDH P47989 1/20 0.36
RPS6KA3 P51812 1/20 0.36

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
Bromide SCHEMBL81705 0.99 LGMN (0.46) LGMNMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL16166042 0.78 LGMN (0.36) LGMNMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL2260946 0.75 PTAFR (0.41) HPGD
SCHEMBL82052 0.73 RPS6KA3 (0.35) LGMNMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL86669 0.73 PLOD2 (0.43) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL82051 0.73 RPS6KA3 (0.35) LGMNMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL29475029 0.73 RPS6KA3 (0.35) LGMNMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL86514 0.73 MAPT (0.52) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL87428 0.73 SMN1; SMN2 (0.42) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL86512 0.73 SMN1; SMN2 (0.58) MAPTSMN1; SMN2NPC1RAB9ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129386-B2 Fused azole-pyrimidine derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-06 US disclosed
US-8129386-B2 Fused azole-pyrimidine derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-06 US disclosed
EP-2042504-B1 Fused azole-pyrimidine derivatives BAYER SCHERING PHARMA AG (DE) 2011-06-01 EP disclosed
US-20090270388-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER PHARMACEUTICALS CORPORATION (US) 2009-10-29 US disclosed
US-20090270388-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER PHARMACEUTICALS CORPORATION (US) 2009-10-29 US disclosed
EP-2042504-A1 Fused azole-pyrimidine derivatives Bayer HealthCare AG (DE) 2009-04-01 EP disclosed
US-7511041-B2 Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2009-03-31 US disclosed
US-7511041-B2 Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2009-03-31 US disclosed
EP-1549652-B1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2008-10-22 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-20090270388-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES PIK3CA, PIK3CD, PIK3R5 LGMN 4883/4885MAPT 2333/4885SMN1; SMN2 3659/4885

“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.