SCHEMBL930733

SCHEMBL930733

Cc1cn(C)c2ccc(N)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.46
BRPF1 P55201 2/20 0.43
HTR1D P28221 1/20 0.41
ALDH1A1 P00352 6/20 0.41
CASP1 P29466 3/20 0.40
KDM4E B2RXH2 5/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
HBB P68871 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ADRB2 P07550 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
PDE10A Q9Y233 1/20 0.38
LMNA P02545 2/20 0.37

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
SCHEMBL31035937 1.00 PRKCI (0.46) PRKCIBRPF1HTR1DALDH1A1CASP1
SCHEMBL5985874 0.79 KDM4E (0.41) HTR1DALDH1A1KDM4EMAPTMEN1
SCHEMBL21001419 0.78 PRKCI (0.44) PRKCIBRPF1HTR1DALDH1A1KDM4E
SCHEMBL29492232 0.78 PRKCI (0.44) PRKCIBRPF1HTR1DALDH1A1KDM4E
SCHEMBL29263623 0.78 PRKCI (0.44) PRKCIBRPF1HTR1DALDH1A1KDM4E
SCHEMBL15134029 0.78 PRKCI (0.44) PRKCIBRPF1HTR1DALDH1A1KDM4E
SCHEMBL20562376 0.77 HTR1D (0.50) HTR1DALDH1A1KDM4EMAPTMAPK1
SCHEMBL2382103 0.76 PDK1 (0.40) MAPT
SCHEMBL2112606 0.76 KDM4E (0.59) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL948433 0.76 ALOX5 (0.44) HPGDHTTLMNASMN1; SMN2

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 108 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116332950-A Indazole substituted podophyllotoxin derivative and preparation method and application thereof 汤亚杰 2023-06-27 CN claimed
CN-116332950-A Indazole substituted podophyllotoxin derivative and preparation method and application thereof 汤亚杰 2023-06-27 CN disclosed
US-11072583-B2 Indole (sulfomyl) n-hydroxy benzamide derivatives as selective HDAC inhibitors COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2021-07-27 US disclosed
WO-2020012424-A1 SUBSTITUTED (AZA)INDOLE DERIVATIVES RICHTER GEDEON NYRT. (HU) 2020-01-16 WO disclosed
US-20190144398-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS SYNTA PHARMACEUTICALS CORP. 2019-05-16 US disclosed
US-20190144398-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS SYNTA PHARMACEUTICALS CORP. 2019-05-16 US disclosed
US-20170320837-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS SYNTA PHARMACEUTICALS CORP. 2017-11-09 US disclosed
US-20170320837-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS SYNTA PHARMACEUTICALS CORP. 2017-11-09 US disclosed
US-20170320837-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS SYNTA PHARMACEUTICALS CORP. 2017-11-09 US disclosed
EP-2298748-B1 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP (US) 2016-07-20 EP disclosed
US-20080004276-A1 Method for treating non-hodgkin's lymphoma LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2008-01-03 US disclosed
US-20080004276-A1 Method for treating non-hodgkin's lymphoma LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2008-01-03 US disclosed
WO-2007139952-A2 METHOD FOR THE PREPARATION OF TRIAZOLE COMPOUNDS WITH HSP90 MODULATING ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2007-12-06 WO disclosed
WO-2007140002-A2 METHOD FOR TREATING NON-HODGKIN'S LYMPHOMA SYNTA PHARMACEUTICALS CORP. (US) 2007-12-06 WO disclosed
WO-2007139951-A2 METHOD FOR TREATING PROLIFERATIVE DISORDERS ASSOCIATED WITH PROTOONCOGENE PRODUCTS SYNTA PHARMACEUTICALS CORP. (US) 2007-12-06 WO disclosed
CN-101072759-A Triazole compounds that modulate hsp90 activity SYNTA PHARMACEUTICALS CORP (US) 2007-11-14 CN disclosed
EP-1817295-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY Synta Pharmaceuticals Corporation (US) 2007-08-15 EP disclosed
WO-2006055760-A9 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2006-09-21 WO disclosed
US-20060167070-A1 heat shock protein 90 inhibitors such as 3-(2-Hydroxyphenyl)-4-(naphthalen-1-yl)-5-mercapto-triazole, used for for preventing or treating hyperproliferative disorders, such as cancer LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2006-07-27 US disclosed
WO-2006055760-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2006-05-26 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-11072583-B2 Indole (sulfomyl) n-hydroxy benzamide derivatives as selective HDAC inhibitors HDAC1, HDAC3, HDAC2 PRKCI 4049/4885BRPF1 1797/4885HTR1D 275/4885
US-20080004276-A1 Method for treating non-hodgkin's lymphoma HSP90AB1, HSP90AB2P, HSP90B1 PRKCI 1891/4885BRPF1 2949/4885HTR1D 4431/4885
US-20190144398-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS TNF, IL2, IL5 PRKCI 2570/4885BRPF1 3852/4885HTR1D 4055/4885
US-20170320837-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS TNF, IL2, IL5 PRKCI 2570/4885BRPF1 3852/4885HTR1D 4055/4885
US-20060167070-A1 heat shock protein 90 inhibitors such as 3-(2-Hydroxyphenyl)-4-(naphthalen-1-yl)-5-mercapto-triazole, used for for preventing or treating hyperproliferative disorders, such as cancer HSP90AB1, HSP90AB2P, HSP90AA1 PRKCI 652/4885BRPF1 1650/4885HTR1D 3576/4885

“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.