SCHEMBL18409662

SCHEMBL18409662

Fc1cccc(-c2nc(CN3CCN(Cc4ccccc4)CC3)[nH]c2-c2cccc(F)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPK13 O15264 1/20 0.46
RAF1 P04049 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
MAPK14 Q16539 1/20 0.46
ALDH1A1 P00352 4/20 0.45
MAPT P10636 1/20 0.45
GABRA1 P14867 1/20 0.44
GABRA2 P47869 1/20 0.44
GAA P10253 1/20 0.43
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
GRIN1 Q05586 1/20 0.43

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
SCHEMBL18409622 0.94 DRD2 (0.51) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL18409305 0.89 DRD4 (0.51) DRD2DRD4DRD3MAPK13RAF1
SCHEMBL18409293 0.88 CASP1 (0.43) DRD2DRD4DRD3MAPK13RAF1
SCHEMBL18409624 0.87 ALDH1A1 (0.49) DRD2DRD4DRD3ALDH1A1GAA
SCHEMBL18409353 0.85 MEN1 (0.54) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL18409352 0.85 DRD4 (0.46) DRD2DRD4DRD3ALDH1A1MAPT
SCHEMBL18409621 0.84 DRD4 (0.46) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL18409476 0.84 ALDH1A1 (0.49) MEN1KMT2AALDH1A1GAAKDM4E
SCHEMBL18409482 0.83 OPRL1 (0.45) DRD2DRD4DRD3MAPK13RAF1
SCHEMBL18409490 0.83 DRD4 (0.51) DRD2DRD4DRD3MAPK13RAF1

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 DRD2 4797/4885DRD4 4787/4885DRD3 4793/4885
US-10844051-B2 Substituted oxazoles for the treatment of cancer OXA1L, PDCD1, MCL1 DRD2 4672/4885DRD4 4586/4885DRD3 4629/4885
US-20200339554-A1 COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCERS AND OTHER MEDICAL CONDITIONS KRAS, NRAS, VHL DRD2 4653/4885DRD4 4249/4885DRD3 4524/4885

“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.