SCHEMBL19205958

SCHEMBL19205958

CN(C)[C@@H]1CCN(c2ncc(Sc3ccc(N)nc3)c(OCc3cccc(Cl)c3)n2)C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.41
MAOB P27338 2/20 0.41
PTPN11 Q06124 2/20 0.39
HTR2C P28335 6/20 0.38
HRH4 Q9H3N8 1/20 0.37
HTR2B P41595 2/20 0.36
KCNH2 Q12809 1/20 0.34
CHIT1 Q13231 1/20 0.34
CHIA Q9BZP6 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
SLC6A4 P31645 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
PIN1 Q13526 1/20 0.34
HTR2A P28223 1/20 0.34
DYRK1A Q13627 1/20 0.34
MPO P05164 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
SCHEMBL17262405 1.00 HTR6 (0.41) HTR6MAOBPTPN11HTR2CHRH4
SCHEMBL17262285 0.90 FGFR4 (0.37) PTPN11KCNH2HPGDPIN1MPO
SCHEMBL19205964 0.90 FGFR4 (0.37) PTPN11KCNH2HPGDPIN1MPO
SCHEMBL20288040 0.88 AOC3 (0.34) HTR6MAOBPTPN11DYRK1A
SCHEMBL17269576 0.87 MAOB (0.40) HTR6MAOBPTPN11HTR2CHRH4
SCHEMBL17262297 0.87 MAOB (0.40) HTR6MAOBPTPN11HTR2CHRH4
SCHEMBL17269613 0.87 HTR6 (0.41) HTR6MAOBPTPN11HTR2CHRH4
SCHEMBL17262101 0.87 HTR6 (0.41) HTR6MAOBPTPN11HTR2CHRH4
SCHEMBL20285842 0.85 HRH1 (0.43) PTPN11HRH4KCNH2DYRK1A
SCHEMBL17269544 0.83 MAOB (0.37) HTR6MAOBHTR2CKCNH2

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 15 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-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 HTR6 245/4885MAOB 2862/4885PTPN11 3692/4885
US-20180170883-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 HTR6 245/4885MAOB 2862/4885PTPN11 3692/4885
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 HTR6 184/4885MAOB 3113/4885PTPN11 3909/4885
US-10647683-B2 Hsp70 modulators and methods for making and using the same HSPA2, HSP90AA1, HSP90AB1 HTR6 245/4885MAOB 2862/4885PTPN11 3692/4885
US-10160729-B2 Hsp70 modulators and methods for making and using the same HSPA2, HSP90AA1, HSP90AB1 HTR6 245/4885MAOB 2862/4885PTPN11 3692/4885

“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.