SCHEMBL3415445

SCHEMBL3415445

COc1ccc(-c2nnc(C(N)=O)n2-c2ccc(C)cc2)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 2/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 3/20 0.43
BRCA1 P38398 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 6/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
MAPT P10636 3/20 0.43
NPC1 O15118 2/20 0.43
AHR P35869 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CACNA2D1 P54289 1/20 0.42
HPGD P15428 3/20 0.41
APOBEC3G Q9HC16 1/20 0.41
RXFP1 Q9HBX9 2/20 0.40
ALPG P10696 1/20 0.40

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
SCHEMBL500741 0.85 ALPG (0.45) LMNATSHRALDH1A1KMT2AMEN1
SCHEMBL501292 0.81 SMN1; SMN2 (0.47) LMNATSHRKDM4EKMT2AMEN1
SCHEMBL500992 0.79 CYP3A4 (0.39) CYP3A4CYP2C19LMNATSHRKDM4E
SCHEMBL500776 0.77 ALPG (0.40) LMNATSHRHSD17B10ALDH1A1KMT2A
SCHEMBL501144 0.77 ESR1 (0.42) LMNATSHRKDM4EALDH1A1KMT2A
SCHEMBL500712 0.76 ADRB2 (0.40) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL500767 0.76 HSP90AA1 (0.46) LMNATSHRALDH1A1KMT2AMEN1
SCHEMBL501169 0.76 HSP90AA1 (0.42) TSHRKDM4EHSD17B10ALDH1A1KMT2A
SCHEMBL4942213 0.75 CACNA2D1 (0.44) CYP3A4CYP2C19LMNAKDM4EALDH1A1
SCHEMBL1924364 0.74 MAPT (0.45) LMNAHSD17B10ALDH1A1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9539243-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2017-01-10 US disclosed
US-9539243-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2017-01-10 US disclosed
US-20150126499-A1 Triazole Compounds that Modulate HSP90 Activity SYNTA PHARMACEUTICALS CORP (US) 2015-05-07 US disclosed
US-20150126499-A1 Triazole Compounds that Modulate HSP90 Activity SYNTA PHARMACEUTICALS CORP (US) 2015-05-07 US disclosed
US-8937094-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-01-20 US disclosed
US-8937094-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-01-20 US disclosed
US-20130303493-A1 Triazole Compounds that Modulate HSP90 Activity SYNTA PHARMACEUTICALS CORP. (US) 2013-11-14 US disclosed
US-20130303493-A1 Triazole Compounds that Modulate HSP90 Activity SYNTA PHARMACEUTICALS CORP. (US) 2013-11-14 US disclosed
US-8486932-B2 Triazole compounds that modulate Hsp90 activity SYNTA PHARMACEUTICALS CORP. (US) 2013-07-16 US disclosed
US-8486932-B2 Triazole compounds that modulate Hsp90 activity SYNTA PHARMACEUTICALS CORP. (US) 2013-07-16 US disclosed
US-20120101072-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2012-04-26 US disclosed
US-20120101072-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2012-04-26 US disclosed
US-8106083-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2012-01-31 US disclosed
US-8106083-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2012-01-31 US disclosed
US-20100113447-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2010-05-06 US disclosed
US-20100113447-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2010-05-06 US disclosed
WO-2010017545-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARAMCEUTICALS CORP. (US) 2010-02-11 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-20150126499-A1 Triazole Compounds that Modulate HSP90 Activity HSP90AB1, HSP90B1, HSP90AA1 CYP3A4 3049/4885CYP2C19 2785/4885LMNA 4198/4885
US-20100113447-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 CYP3A4 3049/4885CYP2C19 2785/4885LMNA 4198/4885
US-20130303493-A1 Triazole Compounds that Modulate HSP90 Activity HSP90AB1, HSP90B1, HSP90AA1 CYP3A4 3049/4885CYP2C19 2785/4885LMNA 4198/4885
US-20120101072-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 CYP3A4 3049/4885CYP2C19 2785/4885LMNA 4198/4885

“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.