SCHEMBL2149335

SCHEMBL2149335

Oc1cccc2nnn(O)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50
ATM Q13315 1/20 0.50
KDM4E B2RXH2 1/20 0.50
KCNMA1 Q12791 3/20 0.42
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
FGFR1 P11362 1/20 0.41
ACHE P22303 1/20 0.40
ALDH1A1 P00352 3/20 0.36
GAA P10253 2/20 0.36
AURKA O14965 2/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MGAM O43451 1/20 0.35
AMY1A P0DUB6 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
DGAT1 O75907 1/20 0.33

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
SCHEMBL13730894 0.78 KDM4E (0.49) POLBMAPK1ATMKDM4EMAPT
SCHEMBL8040200 0.78 SLC9A1 (0.48) POLBMAPK1ATMKDM4EKCNMA1
SCHEMBL3282387 0.78 KDM4E (0.49) POLBMAPK1ATMKDM4EMAPT
SCHEMBL28390322 0.78 KDM4E (0.49) POLBMAPK1ATMKDM4EMAPT
SCHEMBL751995 0.73 KDM4E (0.45) POLBMAPK1ATMKDM4EMAPT
SCHEMBL6274820 0.73 KDM4E (0.45) POLBMAPK1ATMKDM4EKCNMA1
SCHEMBL5921930 0.73 KDM4E (0.45) POLBMAPK1ATMKDM4EKCNMA1
SCHEMBL5921928 0.72 KDM4E (0.44) POLBMAPK1ATMKDM4EMAPT
SCHEMBL31464931 0.71 FGFR1 (0.47) POLBMAPK1ATMKDM4EFGFR1
SCHEMBL5921943 0.70 KDM4E (0.41) POLBMAPK1ATMKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160001370-A1 REDUCING AGENTS FOR SILVER MORPHOLOGY CONTROL CARESTREAM HEALTH, INC. 2016-01-07 US claimed
EP-1265878-B1 A PROCESS FOR THE PREPARATION OF EPOTHILONE ANALOGS AND INTERMEDIATES BRISTOL MYERS SQUIBB CO (US) 2011-07-13 EP claimed
EP-1882690-A2 A process for the preparation of epothilone analogs and intermediates Bristol-Myers Squibb Pharma Company (US) 2008-01-30 EP claimed
US-RE39356-E1 Process for the preparation of epothilone analogs BRISTOL-MYERS SQUIBB CO. (US) 2006-10-17 US claimed
US-6518421-B1 Coupling agent for such reaction and palladium catalyst for lactonization BRISTOL-MYERS SQUIBB COMPANY 2003-02-11 US claimed
US-20030004338-A1 Process for the preparation of epothilone analogs R-PHARM US OPERATING LLC 2003-01-02 US claimed
EP-1265878-A1 A PROCESS FOR THE PREPARATION OF EPOTHILINE ANALOGS AND INTERMEDIATES Bristol-Myers Squibb Company (US) 2002-12-18 EP claimed
WO-2002060904-A2 A PROCESS FOR THE PREPARATION OF EPOTHILONE ANALOGS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-08 WO claimed
WO-2001070716-A1 A PROCESS FOR THE PREPARATION OF EPOTHILONE ANALOGS AND INTERMEDIATES BRISTOL-MYERS SQUIBB COMPANY (US) 2001-09-27 WO claimed
WO-2016003681-A1 REDUCING AGENTS FOR SILVER MORPHOLOGY CONTROL CARESTREAM HEALTH, INC. (US) 2016-01-07 WO disclosed
US-20160001370-A1 REDUCING AGENTS FOR SILVER MORPHOLOGY CONTROL CARESTREAM HEALTH, INC. 2016-01-07 US disclosed
US-20160001370-A1 REDUCING AGENTS FOR SILVER MORPHOLOGY CONTROL CARESTREAM HEALTH, INC. 2016-01-07 US disclosed
EP-1265878-B1 A PROCESS FOR THE PREPARATION OF EPOTHILONE ANALOGS AND INTERMEDIATES BRISTOL MYERS SQUIBB CO (US) 2011-07-13 EP disclosed
EP-1882690-A2 A process for the preparation of epothilone analogs and intermediates Bristol-Myers Squibb Pharma Company (US) 2008-01-30 EP disclosed
US-20030004338-A1 Process for the preparation of epothilone analogs R-PHARM US OPERATING LLC 2003-01-02 US disclosed
EP-1265878-A1 A PROCESS FOR THE PREPARATION OF EPOTHILINE ANALOGS AND INTERMEDIATES Bristol-Myers Squibb Company (US) 2002-12-18 EP disclosed
US-20020188014-A1 Polymorphs of an epothilone analog R-PHARM US OPERATING LLC 2002-12-12 US disclosed
WO-2002060904-A2 A PROCESS FOR THE PREPARATION OF EPOTHILONE ANALOGS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-08 WO disclosed
WO-2002014323-A2 POLYMORPHS OF AN EPOTHILONE ANALOG BRISTOL-MYERS SQUIBB COMPANY (US) 2002-02-21 WO disclosed
WO-2001070716-A1 A PROCESS FOR THE PREPARATION OF EPOTHILONE ANALOGS AND INTERMEDIATES BRISTOL-MYERS SQUIBB COMPANY (US) 2001-09-27 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 (2 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-20020188014-A1 Polymorphs of an epothilone analog CYP11B1, CYP11B2, PTGER1 POLB 1430/4885MAPK1 2686/4885ATM 4569/4885
US-20030004338-A1 Process for the preparation of epothilone analogs DHPS, SQLE, NOTUM POLB 1154/4885MAPK1 4034/4885ATM 3305/4885

“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.