SCHEMBL890589

SCHEMBL890589

CC(c1nc2ccccn2c(=O)c1Br)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 2/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
HTR6 P50406 1/20 0.38
ELANE P08246 1/20 0.38
MAPT P10636 2/20 0.37
THRB P10828 1/20 0.37
LMNA P02545 1/20 0.37
MAP4K4 O95819 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL890605 0.83 PIK3CD (0.37) NPSR1TP53MAPK1HTR6MAPT
SCHEMBL3962921 0.82 KDM4E (0.47) HSP90AA1HSP90AB1KDM4EALDH1A1GLA
SCHEMBL3081043 0.81 KDM4E (0.46) HSP90AA1HSP90AB1KDM4EALDH1A1GLA
SCHEMBL890479 0.80 HTT (0.43) KDM4EALDH1A1SMN1; SMN2NPSR1TP53
SCHEMBL890545 0.80 KDM4E (0.44) HSP90AA1HSP90AB1KDM4EALDH1A1GLA
SCHEMBL890519 0.80 KDM4E (0.45) HSP90AA1HSP90AB1KDM4EALDH1A1GLA
SCHEMBL3098056 0.80 KDM4E (0.45) HSP90AA1HSP90AB1KDM4EALDH1A1GLA
SCHEMBL890481 0.79 PIK3CD (0.54) HSP90AA1HSP90AB1KDM4EALDH1A1GLA
SCHEMBL2820859 0.71 KMT2A (0.53) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL13151099 0.71 THRB (0.38) MAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754089-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-06-17 US disclosed
US-8754089-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-06-17 US disclosed
US-8754089-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-06-17 US disclosed
EP-2445898-A2 4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE DERIVATIVES AS PI3K INHIBITORS Amgen, Inc (US) 2012-05-02 EP disclosed
US-20120083502-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-05 US disclosed
US-20120083502-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-05 US disclosed
US-20120083502-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-05 US disclosed
WO-2010151735-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 WO disclosed
WO-2010151735-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 WO disclosed
US-7799795-B2 Aryl nitrile compounds and compositions and their uses in treating inflammatory and related disorders AMGEN INC. (US) 2010-09-21 US disclosed
US-7799795-B2 Aryl nitrile compounds and compositions and their uses in treating inflammatory and related disorders AMGEN INC. (US) 2010-09-21 US disclosed
US-7799795-B2 Aryl nitrile compounds and compositions and their uses in treating inflammatory and related disorders AMGEN INC. (US) 2010-09-21 US disclosed
EP-1917250-B1 ANTI-INFLAMMATORY ARYL NITRILE COMPOUNDS AMGEN INC (US) 2010-07-21 EP disclosed
US-20070015773-A1 Aryl nitrile compounds and compositions and their uses in treating inflammatory and related disorders AMGEN INC. 2007-01-18 US disclosed
US-20070015773-A1 Aryl nitrile compounds and compositions and their uses in treating inflammatory and related disorders AMGEN INC. 2007-01-18 US disclosed
US-20070015773-A1 Aryl nitrile compounds and compositions and their uses in treating inflammatory and related disorders AMGEN INC. 2007-01-18 US disclosed
WO-2007002701-A2 ANTI-INFLAMMATORY ARYL NITRILE COMPOUNDS AMGEN INC. (US) 2007-01-04 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 (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-20120083502-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 HSP90AA1 1973/4885HSP90AB1 1328/4885KDM4E 1436/4885
US-20070015773-A1 Aryl nitrile compounds and compositions and their uses in treating inflammatory and related disorders CCR1, MSR1, CCR2 HSP90AA1 2262/4885HSP90AB1 1905/4885KDM4E 3102/4885

“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.