SCHEMBL17262129

SCHEMBL17262129

COc1ccc(CSc2ccc(N)nc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.56
MAOB P27338 3/20 0.52
MAOA P21397 2/20 0.52
TSHR P16473 2/20 0.46
HDAC3 O15379 1/20 0.45
NCOR1 O75376 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
DAO P14920 2/20 0.44
IDO1 P14902 2/20 0.44
POLB P06746 1/20 0.42
HSD17B10 Q99714 2/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL2886374 0.83 APP (0.58) APPMAOBMAOATSHRDAO
SCHEMBL28625801 0.82 APP (0.56) APPMAOBMAOATSHRHDAC3
SCHEMBL7956847 0.82 APP (0.56) APPMAOBMAOATSHRDAO
SCHEMBL25214135 0.81 APP (0.58) APPMAOBMAOATSHRDAO
SCHEMBL3228582 0.80 APP (0.82) APPMAOBMAOATSHRHDAC3
SCHEMBL31294163 0.80 APP (0.57) APPMAOBMAOATSHRDAO
SCHEMBL19240399 0.80 RAB9A (0.41) DAOPOLBHSD17B10KMT2ANPC1
SCHEMBL28585249 0.79 APP (0.54) APPMAOBMAOATSHRHDAC3
SCHEMBL19970154 0.79 SMN1; SMN2 (0.50) MAOBMAOAPOLBHSD17B10NPC1
SCHEMBL29464960 0.79 SMN1; SMN2 (0.50) MAOBMAOAPOLBHSD17B10NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113727758-A Bicyclic heterocyclic compounds and use thereof 锐新医药公司 2021-11-30 CN disclosed
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-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
EP-3143013-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME Memorial Sloan Kettering Cancer Center (US) 2017-03-22 EP disclosed
WO-2015175707-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2015-11-19 WO disclosed
WO-2015175707-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2015-11-19 WO 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 APP 540/4885MAOB 2862/4885MAOA 2663/4885
US-20180170883-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 APP 540/4885MAOB 2862/4885MAOA 2663/4885
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 APP 627/4885MAOB 3113/4885MAOA 2855/4885
US-10647683-B2 Hsp70 modulators and methods for making and using the same HSPA2, HSP90AA1, HSP90AB1 APP 540/4885MAOB 2862/4885MAOA 2663/4885
US-10160729-B2 Hsp70 modulators and methods for making and using the same HSPA2, HSP90AA1, HSP90AB1 APP 540/4885MAOB 2862/4885MAOA 2663/4885

“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.