Sugi Predict

Sugi Predict / Compounds / SCHEMBL19205964

SCHEMBL19205964

SCHEMBL19205964

COc1cccc(COc2nc(N3CC[C@@H](N(C)C)C3)ncc2Sc2ccc(N)nc2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 1/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ MPO P05164 1/20 0.35
▸ PIN1 Q13526 1/20 0.35
▸ ALDH1A1 P00352 5/20 0.35
▸ CYP3A4 P08684 5/20 0.35
▸ CYP1A2 P05177 4/20 0.35
▸ CYP2D6 P10635 3/20 0.35
▸ CYP2C9 P11712 3/20 0.35
▸ HSD17B10 Q99714 3/20 0.35
▸ USP2 O75604 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CLK4 Q9HAZ1 1/20 0.35
▸ CYP2C19 P33261 4/20 0.35
▸ TSHR P16473 2/20 0.35
▸ HPGD P15428 1/20 0.35

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
SCHEMBL17262285 1.00 FGFR4 (0.37) FGFR4ROCK2CHRM1HRH1KCNH2
SCHEMBL21227108 0.92 CHRM1 (0.38) FGFR4ROCK2CHRM1HRH1KCNH2
SCHEMBL20285842 0.91 HRH1 (0.43) FGFR4CHRM1HRH1KCNH2CYP2D6
SCHEMBL17262405 0.90 HTR6 (0.41) KCNH2MPOPIN1HPGDPTPN11
SCHEMBL19205958 0.90 HTR6 (0.41) KCNH2MPOPIN1HPGDPTPN11
SCHEMBL20285845 0.89 ALDH1A1 (0.36) FGFR4ROCK2CHRM1HRH1KCNH2
SCHEMBL20288040 0.88 AOC3 (0.34) PTPN11PLGPLAUPLAT
SCHEMBL17262283 0.87 MCHR1 (0.38) FGFR4ROCK2CHRM1HRH1KCNH2
SCHEMBL17269346 0.87 MCHR1 (0.38) FGFR4ROCK2CHRM1HRH1KCNH2
SCHEMBL17269570 0.87 MCHR1 (0.38) FGFR4ROCK2CHRM1HRH1KCNH2

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 FGFR4 2380/4885ROCK2 1306/4885CHRM1 4386/4885
US-20180170883-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 FGFR4 2380/4885ROCK2 1306/4885CHRM1 4386/4885
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 FGFR4 2318/4885ROCK2 1265/4885CHRM1 4300/4885
US-10647683-B2 Hsp70 modulators and methods for making and using the same HSPA2, HSP90AA1, HSP90AB1 FGFR4 2380/4885ROCK2 1306/4885CHRM1 4386/4885
US-10160729-B2 Hsp70 modulators and methods for making and using the same HSPA2, HSP90AA1, HSP90AB1 FGFR4 2380/4885ROCK2 1306/4885CHRM1 4386/4885

“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.