SCHEMBL1200133

SCHEMBL1200133

Fc1cc(N2CCNCC2)c(F)cc1-c1ncccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
SLC6A4 P31645 2/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
OPRL1 P41146 1/20 0.42
HTR1A P08908 3/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
HTR2B P41595 1/20 0.42
HTR3A P46098 1/20 0.42
HTR6 P50406 1/20 0.42
SLC6A2 P23975 2/20 0.41
PLD1 Q13393 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NCF1 P14598 2/20 0.40
ADRB2 P07550 1/20 0.40
EPHX2 P34913 1/20 0.39

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
Piperazine SCHEMBL3644696 0.98 HTR7 (0.44) HTR7ALDH1A1KDM4ESLC6A4HTR2A
SCHEMBL13855408 0.82 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTLMNAHTR3A
SCHEMBL12878764 0.78 F12 (0.36) ALDH1A1
SCHEMBL1199430 0.78 BMPR1A (0.49) HTR7ALDH1A1KDM4ESLC6A4HTR2A
SCHEMBL1200196 0.78 HTR1A (0.48) HTR7ALDH1A1KDM4ESLC6A4HTR2A
SCHEMBL6582872 0.76 ALDH1A1 (0.56) HTR7ALDH1A1SLC6A4OPRL1HTR1A
SCHEMBL1200098 0.76 HTR7 (0.49) HTR7ALDH1A1KDM4ESLC6A4HTR2A
SCHEMBL28508845 0.75 HTR2A (0.56) HTR7ALDH1A1SLC6A4HTR2AHTR2C
SCHEMBL7646651 0.74 HTR7 (0.71) HTR7ALDH1A1KDM4ESLC6A4HTR2A
SCHEMBL1201072 0.73 HTT (0.43) ALDH1A1KDM4EMAPTLMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546404-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME (US) 2013-10-01 US disclosed
US-8546404-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME (US) 2013-10-01 US disclosed
US-8546404-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME (US) 2013-10-01 US disclosed
EP-2155722-B1 POLYCYCLIC INDAZOLE DERIVATIVES AND THEIR USE AS ERK INHIBITORS FOR THE TREATMENT OF CANCER MERCK SHARP & DOHME (US) 2013-08-14 EP disclosed
EP-2155722-B1 POLYCYCLIC INDAZOLE DERIVATIVES AND THEIR USE AS ERK INHIBITORS FOR THE TREATMENT OF CANCER MERCK SHARP & DOHME (US) 2013-08-14 EP disclosed
US-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS SCHERING CORPORATION 2011-02-17 US disclosed
US-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS SCHERING CORPORATION 2011-02-17 US disclosed
US-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS SCHERING CORPORATION 2011-02-17 US disclosed
EP-2155722-A1 POLYCYCLIC INDAZOLE DERIVATIVES AND THEIR USE AS ERK INHIBITORS FOR THE TREATMENT OF CANCER SCHERING CORPORATION (US) 2010-02-24 EP disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 US disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 US disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 US disclosed
WO-2008153858-A1 POLYCYCLIC INDAZOLE DERIVATIVES AND THEIR USE AS ERK INHIBITORS FOR THE TREATMENT OF CANCER SCHERING CORPORATION (US) 2008-12-18 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-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS MAPK1, MAPK4, MAPK10 HTR7 3872/4885ALDH1A1 153/4885KDM4E 671/4885
US-20090118284-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPK10 HTR7 4216/4885ALDH1A1 277/4885KDM4E 919/4885

“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.