SCHEMBL2899648

SCHEMBL2899648

CCOC(=O)c1cc2c(nc1Cl)CCCC2

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.71
ALDH1A1 P00352 9/20 0.59
SMN1; SMN2 Q16637 6/20 0.59
KMT2A Q03164 3/20 0.59
PPARG P37231 1/20 0.59
NCOR2 Q9Y618 1/20 0.59
RAB9A P51151 6/20 0.54
NPC1 O15118 5/20 0.54
LMNA P02545 3/20 0.54
GAA P10253 2/20 0.54
MEN1 O00255 2/20 0.54
HTT P42858 1/20 0.54
MAPT P10636 3/20 0.52
RXFP1 Q9HBX9 1/20 0.52
ACHE P22303 4/20 0.49
CASP3 P42574 1/20 0.45
ATM Q13315 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45

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
SCHEMBL2897233 0.99 KDM4E (0.70) KDM4EALDH1A1SMN1; SMN2KMT2APPARG
SCHEMBL7913070 0.86 KDM4E (0.75) KDM4EALDH1A1SMN1; SMN2KMT2APPARG
SCHEMBL10563413 0.84 KDM4E (0.73) KDM4EALDH1A1SMN1; SMN2KMT2APPARG
SCHEMBL7903030 0.84 KDM4E (0.73) KDM4EALDH1A1SMN1; SMN2KMT2APPARG
SCHEMBL7902779 0.84 KDM4E (0.73) KDM4EALDH1A1SMN1; SMN2KMT2APPARG
SCHEMBL2899565 0.84 KDM4E (0.73) KDM4EALDH1A1SMN1; SMN2KMT2APPARG
SCHEMBL9871030 0.84 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2KMT2APPARG
SCHEMBL2899414 0.83 KDM4E (0.71) KDM4EALDH1A1SMN1; SMN2KMT2APPARG
SCHEMBL30681912 0.83 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2KMT2APPARG
SCHEMBL7913301 0.83 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2KMT2APPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9815846-B2 TrkA kinase inhibitors, compositions and methods thereof MERCK SHARP & DOHME CORP. (US) 2017-11-14 US disclosed
US-20170114071-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2017-04-27 US disclosed
EP-2202228-B1 AMIDE COMPOUNDS AND USE OF THE SAME TAKEDA PHARMACEUTICAL (JP) 2014-12-10 EP disclosed
US-8329691-B2 Amide compounds and use of the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-11 US disclosed
US-8329691-B2 Amide compounds and use of the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-11 US disclosed
US-8329691-B2 Amide compounds and use of the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-11 US disclosed
US-20100324010-A1 AMIDE COMPOUNDS AND USE OF THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-23 US disclosed
US-20100324010-A1 AMIDE COMPOUNDS AND USE OF THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-23 US disclosed
US-20100324010-A1 AMIDE COMPOUNDS AND USE OF THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-23 US disclosed
EP-2202228-A1 AMIDE COMPOUNDS AND USE OF THE SAME Takeda Pharmaceutical Company Limited (JP) 2010-06-30 EP disclosed
EP-2202228-A1 AMIDE COMPOUNDS AND USE OF THE SAME Takeda Pharmaceutical Company Limited (JP) 2010-06-30 EP disclosed
WO-2000078724-A2 IMIDAZOLINDERIVATIVES THEIR PREPARATION AND THEIR PHARMACEUTICAL USE ELI LILLY AND COMPANY (US) 2000-12-28 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-20100324010-A1 AMIDE COMPOUNDS AND USE OF THE SAME REN, ACE, AGT KDM4E 1257/4885ALDH1A1 897/4885SMN1; SMN2 4704/4885
US-20170114071-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF NGFR, NGF, NTRK1 KDM4E 3594/4885ALDH1A1 4290/4885SMN1; SMN2 2012/4885

“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.