SCHEMBL17879577

SCHEMBL17879577

[2H]C(C)(C)Sc1ccccc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
NPSR1 Q6W5P4 4/20 0.50
KMT2A Q03164 4/20 0.50
TDP1 Q9NUW8 4/20 0.50
MEN1 O00255 3/20 0.50
APOBEC3G Q9HC16 2/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPK1 P28482 3/20 0.44
MAP2K1 Q02750 3/20 0.42
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
PDE7A Q13946 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CYP3A4 P08684 4/20 0.38
ALOX15 P16050 3/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
CYP1A2 P05177 2/20 0.37

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
SCHEMBL17879583 0.88 MAPT (0.46) MAPTNPSR1KMT2ATDP1MEN1
SCHEMBL540557 0.82 MAPT (0.54) MAPTNPSR1KMT2ATDP1MEN1
SCHEMBL1014289 0.82 MAPT (0.54) MAPTNPSR1KMT2ATDP1MEN1
Hydrochloric Acid SCHEMBL19896479 0.80 MAPT (0.52) MAPTNPSR1KMT2ATDP1MEN1
Aniline SCHEMBL22169182 0.79 MAPT (0.47) MAPTNPSR1KMT2ATDP1MEN1
SCHEMBL11375178 0.77 MAPT (0.48) MAPTNPSR1KMT2ATDP1MEN1
SCHEMBL11099046 0.75 MAPT (0.46) MAPTNPSR1KMT2ATDP1MEN1
SCHEMBL11385640 0.75 MAPT (0.46) MAPTNPSR1KMT2ATDP1MEN1
SCHEMBL11177994 0.74 MAPT (0.45) MAPTNPSR1KMT2ATDP1MEN1
SCHEMBL9597629 0.74 KMT2A (0.47) MAPTNPSR1KMT2ATDP1MEN1

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-20160185753-A1 DEUTERATED DIAMINOPYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SUCH COMPOUNDS SUZHOU ZELGEN BIOPHARMACEUTICALS CO., LTD. (CN) 2016-06-30 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-20160185753-A1 DEUTERATED DIAMINOPYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SUCH COMPOUNDS DCK, DPYD, PDCD1 MAPT 996/4885NPSR1 4478/4885KMT2A 1386/4885

“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.