SCHEMBL929611

SCHEMBL929611

COc1ccc(N)c2ccn(C(C)C)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.44
EP300 Q09472 1/20 0.43
KAT8 Q9H7Z6 1/20 0.43
ALDH1A1 P00352 7/20 0.37
TDP1 Q9NUW8 3/20 0.37
ADRA2B P18089 1/20 0.37
PTGS1 P23219 1/20 0.37
HTR2C P28335 1/20 0.37
CYP3A4 P08684 3/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
THRB P10828 2/20 0.35
KMT2A Q03164 2/20 0.35
FGB P02675 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
ADORA2A P29274 1/20 0.35
PPARG P37231 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
SCHEMBL14345499 0.78 HTR2C (0.33) ALDH1A1HTR2CSMN1; SMN2
SCHEMBL12870794 0.76 ALDH1A1 (0.32) ALDH1A1HTR2CMAPTNPSR1
SCHEMBL19620886 0.75 HTR2C (0.31) HTR2CMEN1KMT2AMAPK1GAA
SCHEMBL931260 0.74 ALDH1A1 (0.45) ALDH1A1TDP1MEN1MAPTKMT2A
SCHEMBL19564699 0.72 HTR2A (0.41) ALDH1A1HTR2CCYP3A4HSD17B10MEN1
SCHEMBL13773249 0.65 CYP3A4 (0.39) ALDH1A1TDP1HTR2CCYP3A4TSHR
SCHEMBL27228464 0.64 IDO1 (0.46) IDO1EP300KAT8ALDH1A1TDP1
SCHEMBL4956091 0.63 IDO1 (0.35) IDO1EP300KAT8MEN1KMT2A
SCHEMBL4949232 0.63
SCHEMBL331453 0.62 IDO1 (1.00) IDO1EP300KAT8ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2298748-B1 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP (US) 2016-07-20 EP disclosed
EP-2295416-B1 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP (US) 2016-01-27 EP disclosed
EP-2295416-B1 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP (US) 2016-01-27 EP disclosed
US-9108933-B2 Method for treating proliferative disorders associated with mutations in c-Met SYNTA PHARMACEUTICALS CORP. (US) 2015-08-18 US 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
US-20080004276-A1 Method for treating non-hodgkin's lymphoma LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2008-01-03 US disclosed
WO-2007139951-A2 METHOD FOR TREATING PROLIFERATIVE DISORDERS ASSOCIATED WITH PROTOONCOGENE PRODUCTS 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
WO-2007140002-A2 METHOD FOR TREATING NON-HODGKIN'S LYMPHOMA SYNTA PHARMACEUTICALS CORP. (US) 2007-12-06 WO 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 (4 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-20080004276-A1 Method for treating non-hodgkin's lymphoma HSP90AB1, HSP90AB2P, HSP90B1 IDO1 3388/4885EP300 257/4885KAT8 1797/4885
US-20190144398-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS TNF, IL2, IL5 IDO1 240/4885EP300 1943/4885KAT8 4310/4885
US-20170320837-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS TNF, IL2, IL5 IDO1 240/4885EP300 1943/4885KAT8 4310/4885
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 IDO1 2972/4885EP300 1127/4885KAT8 2589/4885

“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.