SCHEMBL22602014

SCHEMBL22602014

COc1ccc(N2CCN(Cc3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.64
TSHR P16473 2/20 0.62
GAA P10253 1/20 0.62
HSD17B10 Q99714 1/20 0.62
MAPT P10636 8/20 0.61
L3MBTL1 Q9Y468 3/20 0.61
MAPK1 P28482 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
SOAT1 P35610 1/20 0.55
LMNA P02545 5/20 0.51
KMT2A Q03164 2/20 0.51
GFER P55789 1/20 0.50
SMO Q99835 1/20 0.49
SIRT1 Q96EB6 1/20 0.49
TDP1 Q9NUW8 2/20 0.47
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 1/20 0.47
RECQL P46063 1/20 0.47

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
SCHEMBL18409588 0.89 DRD4 (0.66) DRD4TSHRGAAHSD17B10MAPT
SCHEMBL18409487 0.88 DRD4 (0.60) DRD4GAAMAPTL3MBTL1SMN1; SMN2
SCHEMBL22602369 0.82 DRD4 (0.64) DRD4MAPTMAPK1SMN1; SMN2LMNA
SCHEMBL18409483 0.82 DRD4 (0.50) DRD4GAAL3MBTL1SMN1; SMN2LMNA
SCHEMBL38662177 0.81 DRD4 (0.52) DRD4TSHRGAAHSD17B10MAPT
SCHEMBL22602041 0.81 DRD4 (0.53) DRD4TSHRGAAHSD17B10MAPT
SCHEMBL22602052 0.81 DRD4 (0.50) DRD4TSHRGAAHSD17B10MAPT
SCHEMBL18409486 0.80 DRD4 (0.49) DRD4SMN1; SMN2LMNA
SCHEMBL18409504 0.79 ALDH1A1 (0.43) MAPTL3MBTL1MAPK1SMN1; SMN2SOAT1
SCHEMBL22602355 0.79 DRD4 (0.50) DRD4TSHRGAAHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20200339554-A1 COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCERS AND OTHER MEDICAL CONDITIONS KRAS, NRAS, VHL DRD4 4249/4885TSHR 4096/4885GAA 690/4885

“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.