SCHEMBL4470636

SCHEMBL4470636

COc1ccc(C2N(C)CCN2C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
TSHR P16473 1/20 0.49
RECQL P46063 1/20 0.49
ALDH1A1 P00352 2/20 0.49
DRD2 P14416 1/20 0.49
KDM1A O60341 2/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
KMT2A Q03164 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
PTGS1 P23219 1/20 0.42

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
SCHEMBL12964307 0.74 ESR2 (0.42) LMNA
SCHEMBL12090379 0.73 CHRNB2 (0.62)
SCHEMBL10274885 0.73 LMNA (0.56) SMN1; SMN2KDM4ETSHRRECQLALDH1A1
SCHEMBL1836103 0.73 RECQL (0.54) TSHRRECQLALDH1A1DRD2KMT2A
SCHEMBL3787596 0.72 ALDH1A1 (0.54) SMN1; SMN2KDM4ETSHRRECQLALDH1A1
SCHEMBL21891263 0.72 PDGFRB (0.58) SMN1; SMN2TSHRRECQLALDH1A1MAOA
SCHEMBL4403006 0.72 DRD2 (0.68) ALDH1A1DRD2
SCHEMBL12090214 0.72 CHRNA7 (0.56)
SCHEMBL14529306 0.72 DRD3 (0.40) DRD2
SCHEMBL20031020 0.71 DRD2 (0.53) SMN1; SMN2KDM4EALDH1A1DRD2KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291941-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2009-11-26 US disclosed
US-20090291941-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2009-11-26 US disclosed
US-20090291941-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2009-11-26 US disclosed
US-20090131423-A1 Tyrosine Kinase Inhibitors MERCK & CO., INC. (US) 2009-05-21 US disclosed
US-20090131423-A1 Tyrosine Kinase Inhibitors MERCK & CO., INC. (US) 2009-05-21 US disclosed
EP-1951249-A2 TYROSINE KINASE INHIBITORS Merck and Co., Inc. (US) 2008-08-06 EP disclosed
WO-2007050383-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2007-05-03 WO disclosed
WO-2007050401-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2007-05-03 WO disclosed
WO-2007050401-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2007-05-03 WO disclosed
US-6017919-A Compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2000-01-25 US disclosed
EP-0887340-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF Japan Tobacco Inc. (JP) 1998-12-30 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-20090291941-A1 Tyrosine Kinase Inhibitors ABL1, ERBB2, RET SMN1; SMN2 4077/4885KDM4E 791/4885TSHR 1237/4885
US-20090131423-A1 Tyrosine Kinase Inhibitors ABL1, ERBB2, MET SMN1; SMN2 3373/4885KDM4E 958/4885TSHR 1294/4885

“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.