SCHEMBL19205970

SCHEMBL19205970

CN(C)[C@@H]1CCN(c2ncc(Sc3ccc(N)nc3)c(Cl)n2)C1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.45
DYRK1A Q13627 1/20 0.43
MAP4K4 O95819 1/20 0.39
MCHR1 Q99705 1/20 0.35
HRH4 Q9H3N8 3/20 0.34
MET P08581 3/20 0.33
PDE3B Q13370 3/20 0.33
PDE3A Q14432 3/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
PDE10A Q9Y233 2/20 0.33
CHRM1 P11229 1/20 0.33
HRH1 P35367 1/20 0.33
KCNH2 Q12809 1/20 0.33
SUV39H2 Q9H5I1 1/20 0.33

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
SCHEMBL17262265 1.00 PTPN11 (0.45) PTPN11DYRK1AMAP4K4MCHR1HRH4
SCHEMBL19240418 0.88 DYRK1A (0.41) PTPN11DYRK1AMAP4K4MCHR1HRH4
SCHEMBL17269640 0.88 DYRK1A (0.41) PTPN11DYRK1AMAP4K4MCHR1HRH4
SCHEMBL17269638 0.84 HRH4 (0.40) PTPN11HRH4HRH3
SCHEMBL17262372 0.84 DYRK1A (0.40) PTPN11DYRK1AMAP4K4MCHR1MET
SCHEMBL17262368 0.84 DYRK1A (0.40) PTPN11DYRK1AMAP4K4MCHR1MET
SCHEMBL17269586 0.83 EGLN2 (0.44) PTPN11DYRK1AHRH3HRH1
SCHEMBL17262395 0.83 EGLN2 (0.44) PTPN11DYRK1AHRH3HRH1
SCHEMBL19205958 0.81 HTR6 (0.41) PTPN11DYRK1AHRH4KCNH2
SCHEMBL17262405 0.81 HTR6 (0.41) PTPN11DYRK1AHRH4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107074806-B HSP70 modulators and methods of making and using the same 纪念斯隆-凯特琳癌症中心 2021-04-23 CN disclosed
US-10647683-B2 Hsp70 modulators and methods for making and using the same MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2020-05-12 US disclosed
US-10647683-B2 Hsp70 modulators and methods for making and using the same MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2020-05-12 US disclosed
US-20190241526-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2019-08-08 US disclosed
US-20190241526-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2019-08-08 US disclosed
US-10160729-B2 Hsp70 modulators and methods for making and using the same MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2018-12-25 US disclosed
US-20180170883-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2018-06-21 US disclosed
US-20180170883-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2018-06-21 US disclosed
US-9878987-B2 HSP70 modulators and methods for making and using the same MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2018-01-30 US disclosed
US-9878987-B2 HSP70 modulators and methods for making and using the same MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2018-01-30 US disclosed
US-9878987-B2 HSP70 modulators and methods for making and using the same MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2018-01-30 US disclosed
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2017-08-17 US disclosed
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2017-08-17 US disclosed
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2017-08-17 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 (5 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-20190241526-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 PTPN11 3692/4885DYRK1A 2831/4885MAP4K4 3471/4885
US-20180170883-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 PTPN11 3692/4885DYRK1A 2831/4885MAP4K4 3471/4885
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 PTPN11 3909/4885DYRK1A 2598/4885MAP4K4 3456/4885
US-10647683-B2 Hsp70 modulators and methods for making and using the same HSPA2, HSP90AA1, HSP90AB1 PTPN11 3692/4885DYRK1A 2831/4885MAP4K4 3471/4885
US-10160729-B2 Hsp70 modulators and methods for making and using the same HSPA2, HSP90AA1, HSP90AB1 PTPN11 3692/4885DYRK1A 2831/4885MAP4K4 3471/4885

“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.