SCHEMBL5700533

SCHEMBL5700533

CC(C)Sc1cccnc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 1/20 0.37
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
PKM P14618 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PTPN11 Q06124 1/20 0.32
POLB P06746 1/20 0.31
GRM5 P41594 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
THRB P10828 1/20 0.31
MPI P34949 1/20 0.31
HTT P42858 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL10297562 0.78 L3MBTL1 (0.34) LMNAADRA2AADRA2BADRA2CADRA1D
SCHEMBL924067 0.77
SCHEMBL19593125 0.76 PTPN11 (0.32) PTPN11
SCHEMBL5700318 0.76 ADRA2A (0.33) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL18485272 0.76 NOS3 (0.47) SMN1; SMN2LMNAADRA2AADRA2BADRA2C
SCHEMBL5700039 0.76 TRIM24 (0.38) LMNAADRA2AADRA2BADRA2CADRA1D
SCHEMBL3073167 0.76 TRIM24 (0.35) SMN1; SMN2LMNAADRA2AADRA2BADRA2C
SCHEMBL9395972 0.74
SCHEMBL28670709 0.73 GRM5 (0.37) SMN1; SMN2ADRA2AADRA2BADRA2CADRA1D
SCHEMBL18753139 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210371429-A1 N-AZASPIROCYCLOALKANE SUBSTITUTED N-HETEROARYL COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2021-12-02 US disclosed
EP-1270582-B1 TRIPHENYLPHOSPHINE DERIVATIVES, PALLADIUM OR NICKEL COMPLEXES THEREOF, AND PROCESS FOR PREPARING BIARYL DERIVATIVES MITSUBISHI RAYON CO (JP) 2006-08-30 EP disclosed
US-6693210-B2 USING PALLADIUM, NICKEL PHOSPHINE COMPLEX AS CATALYSTS MITSUBISHI RAYON CO., LTD. (JP) 2004-02-17 US disclosed
US-20030065208-A1 Using palladium, nickel phosphine complex as catalysts MITSUBISHI RAYON CO., LTD. (JP) 2003-04-03 US disclosed
EP-1270582-A1 TRIPHENYLPHOSPHINE DERIVATIVE, PRODUCTION PROCESS THEREFOR, PALLADIUM COMPLEX THEREOF, AND PROCESS FOR PRODUCING BIARYL DERIVATIVE Mitsubishi Rayon Co., Ltd. (JP) 2003-01-02 EP 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 (2 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-20030065208-A1 Using palladium, nickel phosphine complex as catalysts PDCD1LG2, PIK3CA, PDCD1 SMN1; SMN2 4601/4885LMNA 4286/4885ADRA2A 4828/4885
US-20210371429-A1 N-AZASPIROCYCLOALKANE SUBSTITUTED N-HETEROARYL COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 PTPN5, PTPN1, PTPN7 SMN1; SMN2 2598/4885LMNA 4646/4885ADRA2A 1863/4885

“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.