SCHEMBL17689059

SCHEMBL17689059

CCc1ccc(F)cc1SC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 1/20 0.39
ADRA2A P08913 2/20 0.37
ADRA2B P18089 2/20 0.37
ADRA2C P18825 2/20 0.37
ADRA1D P25100 2/20 0.37
ADRA1A P35348 2/20 0.37
ADRA1B P35368 2/20 0.37
ATM Q13315 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PLA2G1B P04054 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
MAPT P10636 3/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
IDO1 P14902 2/20 0.34

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
SCHEMBL25457334 0.83 DDR1 (0.45) DDR1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL2526394 0.82 MPO (0.41) DDR1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL6076963 0.79 SLC6A4 (0.44) DDR1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL19719755 0.78 MAPT (0.40) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL6076959 0.78 ICMT (0.43) DDR1SLC6A4MAPTLMNAMEN1
SCHEMBL1150906 0.78 DDR1 (0.34) DDR1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL6076954 0.77 DDR1 (0.39) DDR1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL5878760 0.75 TYR (0.41) MAPTMEN1KMT2ATP53ALOX15
SCHEMBL3667517 0.75 IDO1 (0.40) SLC6A4KDM4EMAPTPKMSMN1; SMN2
SCHEMBL29337511 0.75 DDR1 (0.42) DDR1ADRA2AADRA2BADRA2CADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220213100-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2022-07-07 US disclosed
US-9315494-B2 Alkyl-amide-substituted pyridyl compounds useful as modulators of IL-12, IL-23 and/or IFNα responses BRISTOL-MYERS SQUIBB COMPANY (US) 2016-04-19 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-20220213100-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF KRAS, NRAS, GNAQ DDR1 3946/4885ADRA2A 4549/4885ADRA2B 4047/4885

“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.