SCHEMBL245017

SCHEMBL245017

Nc1nc(N2CCOCC2)ncc1Br

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
MAPK1 P28482 1/20 0.63
TSHR P16473 1/20 0.61
PIK3CA P42336 6/20 0.56
PIK3CD O00329 2/20 0.56
PIK3CB P42338 2/20 0.56
KMT2A Q03164 1/20 0.55
KDM4E B2RXH2 2/20 0.51
ABL1 P00519 4/20 0.51
BCR P11274 4/20 0.51
PTPN11 Q06124 1/20 0.50
PIK3R1 P27986 5/20 0.49
MTOR P42345 4/20 0.49
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
IGF1R P08069 1/20 0.45

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
SCHEMBL5805886 0.84 ALDH1A1 (0.55) ALDH1A1MAPK1TSHRPIK3CAPIK3CD
SCHEMBL12524373 0.80 ALDH1A1 (0.63) ALDH1A1MAPK1TSHRPIK3CAPIK3CD
SCHEMBL21121002 0.80 KMT2A (0.58) ALDH1A1MAPK1TSHRPIK3CAPIK3CD
SCHEMBL24196192 0.80 KDM4E (0.69) ALDH1A1MAPK1TSHRPIK3CAPIK3CD
SCHEMBL26647400 0.80 PIK3CA (0.56) ALDH1A1MAPK1TSHRPIK3CAPIK3CD
SCHEMBL10323949 0.76 PIK3CA (0.55) ALDH1A1MAPK1TSHRPIK3CAPIK3CD
SCHEMBL2466904 0.76 KMT2A (0.39) ALDH1A1MAPK1TSHRPIK3CAPIK3CD
SCHEMBL21768443 0.76 ALDH1A1 (0.58) ALDH1A1MAPK1TSHRPIK3CAPIK3CD
SCHEMBL26646893 0.76 PIK3CA (0.55) ALDH1A1MAPK1PIK3CAPIK3CDPIK3CB
SCHEMBL1461650 0.76 PIK3CA (0.54) ALDH1A1MAPK1TSHRPIK3CAPIK3CD

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-2588473-A1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS AS PIK3 -DELTA INHIBITORS Amgen Inc. (US) 2013-05-08 EP disclosed
US-20130079342-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. 2013-03-28 US disclosed
US-20130079342-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. 2013-03-28 US disclosed
US-20130079342-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. 2013-03-28 US disclosed
WO-2012003264-A1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS AS PIK3 -DELTA INHIBITORS AMGEN INC. (US) 2012-01-05 WO disclosed
WO-2012003264-A1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS AS PIK3 -DELTA INHIBITORS AMGEN INC. (US) 2012-01-05 WO 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-20130079342-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 ALDH1A1 3609/4885MAPK1 1119/4885TSHR 1658/4885

“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.