SCHEMBL18409353

SCHEMBL18409353

c1ccc(CN2CCN(Cc3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
SIGMAR1 Q99720 3/20 0.51
SOAT1 P35610 1/20 0.50
DRD2 P14416 3/20 0.49
DRD4 P21917 3/20 0.49
DRD3 P35462 3/20 0.49
ATM Q13315 1/20 0.48
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ACHE P22303 1/20 0.47
CYP2D6 P10635 1/20 0.47
KCNH2 Q12809 1/20 0.47
HTR2A P28223 1/20 0.46
MAPK13 O15264 1/20 0.45
GCGR P47871 1/20 0.45
MAPK12 P53778 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
SCHEMBL20419759 0.88 ATM (0.49) MEN1KMT2ASOAT1ATMUSP2
SCHEMBL18409471 0.88 MAPK13 (0.49) MEN1KMT2ASIGMAR1LMNAKDM4E
SCHEMBL18409487 0.86 DRD4 (0.60) SOAT1DRD2DRD4DRD3LMNA
SCHEMBL18409662 0.85 DRD2 (0.47) MEN1KMT2ASIGMAR1DRD2DRD4
SCHEMBL18409512 0.85 DRD4 (0.53) MEN1KMT2ADRD2DRD4DRD3
SCHEMBL18409357 0.83 ALDH1A1 (0.48) MEN1KMT2ADRD4ATMLMNA
SCHEMBL18409504 0.82 ALDH1A1 (0.43) MEN1KMT2ASOAT1LMNAKDM4E
SCHEMBL18409495 0.81 KDM4E (0.52) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL18409486 0.81 DRD4 (0.49) DRD2DRD4DRD3LMNAHTR2A
SCHEMBL18409590 0.81 L3MBTL1 (0.59) MEN1KMT2AATMLMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10844051-B2 Substituted oxazoles for the treatment of cancer THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY 2020-11-24 US disclosed
US-20200339554-A1 COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCERS AND OTHER MEDICAL CONDITIONS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2020-10-29 US disclosed
US-20180208586-A1 COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCERS AND OTHER MEDICAL CONDITIONS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2018-07-26 US disclosed
WO-2017011920-A1 COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCERS AND OTHER MEDICAL CONDITIONS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2017-01-26 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 (3 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-20180208586-A1 COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCERS AND OTHER MEDICAL CONDITIONS VHL, TP53, CD44 MEN1 88/4885KMT2A 1901/4885SIGMAR1 4588/4885
US-10844051-B2 Substituted oxazoles for the treatment of cancer OXA1L, PDCD1, MCL1 MEN1 2789/4885KMT2A 1214/4885SIGMAR1 3347/4885
US-20200339554-A1 COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCERS AND OTHER MEDICAL CONDITIONS KRAS, NRAS, VHL MEN1 327/4885KMT2A 2042/4885SIGMAR1 4635/4885

“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.