SCHEMBL3666211

SCHEMBL3666211

Nc1cccc(N)c1NCCO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 6/20 0.46
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 5/20 0.46
LMNA P02545 3/20 0.46
MITF O75030 2/20 0.46
GAA P10253 2/20 0.46
RAD52 P43351 2/20 0.46
GLA P06280 2/20 0.46
RAB9A P51151 2/20 0.46
TTR P02766 1/20 0.46
MAPK1 P28482 1/20 0.41
RECQL P46063 2/20 0.36
MCL1 Q07820 1/20 0.36
MEN1 O00255 3/20 0.36
MAPT P10636 3/20 0.36
KMT2A Q03164 3/20 0.36
HTT P42858 2/20 0.36
RUNX1 Q01196 1/20 0.36
CBFB Q13951 1/20 0.36
TLR9 Q9NR96 1/20 0.36

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
Hydrochloric Acid SCHEMBL9012929 0.98 KDM4E (0.44) POLBKDM4EALDH1A1LMNAMITF
SCHEMBL3668687 0.87 POLB (0.49) POLBKDM4EALDH1A1LMNAMITF
SCHEMBL3035099 0.86 EGFR (0.41) POLBKDM4EALDH1A1LMNAMITF
SCHEMBL307339 0.86 TSHR (0.40) POLBKDM4EALDH1A1LMNAMITF
SCHEMBL3665219 0.84 KDM4E (0.46) POLBKDM4EALDH1A1LMNAGAA
SCHEMBL3671200 0.82 MMP2 (0.49) POLBKDM4EALDH1A1LMNAMITF
SCHEMBL307615 0.82 KDM4E (0.40) POLBKDM4EALDH1A1LMNAMITF
SCHEMBL8044086 0.82 TSHR (0.46) POLBKDM4EALDH1A1LMNAMITF
SCHEMBL3041752 0.82 PTPN1 (0.41) POLBKDM4EALDH1A1LMNAMITF
SCHEMBL9501876 0.79 RAB9A (0.51) POLBALDH1A1RAB9AMAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8901141-B2 Tricyclic compounds having corticotropin-releasing factor antagonistic activity and pharmaceutical compositions containing them TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2014-12-02 US disclosed
EP-2240485-B1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TAKEDA PHARMACEUTICAL (JP) 2014-10-15 EP disclosed
US-8785460-B2 Tricyclic compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-22 US disclosed
US-20100298287-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-25 US disclosed
EP-2240485-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Takeda Pharmaceutical Company Limited (JP) 2010-10-20 EP disclosed
WO-2009093747-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-07-30 WO disclosed
US-20090186879-A1 TRICYCLIC COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-07-23 US disclosed
EP-0646583-A1 Derivatives of Imidezol-4-yl piperidine, their preparation and use in therapy SYNTHELABO (FR) 1995-04-05 EP 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-20090186879-A1 TRICYCLIC COMPOUNDS AND USE THEREOF CRHR1, CRHR2, HCRTR1 POLB 4669/4885KDM4E 2435/4885ALDH1A1 2741/4885
US-20100298287-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CRH, CRHR1, CRHR2 POLB 4699/4885KDM4E 3544/4885ALDH1A1 4352/4885

“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.