SCHEMBL3753113

SCHEMBL3753113

CCN(CC)c1cc(Br)cc(C#N)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
MAPT P10636 4/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 5/20 0.37
USP2 O75604 3/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
TTR P02766 2/20 0.35
ALB P02768 2/20 0.35
S100B P04271 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
MAPK1 P28482 2/20 0.34
RECQL P46063 2/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
BLM P54132 1/20 0.34
TSHR P16473 4/20 0.32
TDP1 Q9NUW8 3/20 0.32
CYP3A4 P08684 3/20 0.32

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
SCHEMBL19960884 0.80 S100B (0.43) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL19960904 0.80 S100B (0.43) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL3508778 0.79 TTR (0.39) MEN1KMT2AMAPTALDH1A1TTR
SCHEMBL19130994 0.73 MAOB (0.42) MEN1KMT2AMAPTGAAL3MBTL1
SCHEMBL504640 0.72 TTR (0.52) MEN1KMT2AALDH1A1TTRALB
SCHEMBL200313 0.72 TTR (0.52) MEN1KMT2AALDH1A1TTRALB
SCHEMBL8650222 0.72 ALDH1A1 (0.53) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL9948485 0.71 CYP2A6 (0.48) MEN1KMT2ATTRALBTSHR
SCHEMBL25160005 0.70 TTR (0.36) MEN1KMT2ATTRALB
SCHEMBL25159963 0.70 PGR (0.39) MEN1KMT2AALDH1A1TTRALB

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-20150232429-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE 2015-08-20 US disclosed
US-9018205-B2 Substituted pyrimidinyl-amines as protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2015-04-28 US disclosed
EP-2200436-B1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS SCRIPPS RESEARCH INST (US) 2015-01-21 EP disclosed
US-8530480-B2 Substituted pyrimidinyl-amines as protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2013-09-10 US disclosed
US-20130231336-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2013-09-05 US disclosed
US-20100298312-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2010-11-25 US disclosed
EP-2200436-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS The Scripps Research Institute (US) 2010-06-30 EP disclosed
WO-2009032861-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2009-03-12 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 (3 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-20130231336-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 MEN1 4118/4885KMT2A 2159/4885MAPT 1055/4885
US-20100298312-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 MEN1 4118/4885KMT2A 2159/4885MAPT 1055/4885
US-20150232429-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 MEN1 4118/4885KMT2A 2159/4885MAPT 1055/4885

“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.