SCHEMBL4354498

SCHEMBL4354498

Cc1nn(C)c(C)c1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 4/20 0.41
POLB P06746 2/20 0.41
PIK3CG P48736 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.35
DHODH Q02127 1/20 0.35
PDE10A Q9Y233 1/20 0.35
HPGD P15428 2/20 0.34
HSD17B10 Q99714 1/20 0.34
NTRK1 P04629 2/20 0.33
PIM1 P11309 2/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GRM5 P41594 1/20 0.33
ACVR1 Q04771 1/20 0.33
GAA P10253 1/20 0.33
SLC34A1 Q06495 1/20 0.33

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
SCHEMBL10592663 0.78 KDM4E (0.35) ALDH1A1KDM4ESMN1; SMN2TSHRLMNA
SCHEMBL16402575 0.77 KMT2A (0.37) ALDH1A1KDM4EPOLBPIK3CGSMN1; SMN2
SCHEMBL4354444 0.77 PIK3CG (0.37) ALDH1A1KDM4EPOLBPIK3CGSMN1; SMN2
SCHEMBL18703640 0.77 ALDH1A1 (0.38) ALDH1A1KDM4EPOLBSMN1; SMN2TSHR
SCHEMBL5740490 0.77 LMNA (0.44) ALDH1A1KDM4EPOLBSMN1; SMN2TSHR
SCHEMBL23284547 0.77 PIK3CG (0.37) ALDH1A1KDM4EPOLBPIK3CGSMN1; SMN2
SCHEMBL1821874 0.77 TSHR (0.47) ALDH1A1KDM4EPOLBPIK3CGTSHR
SCHEMBL29196315 0.77 PIK3CG (0.37) ALDH1A1KDM4EPOLBPIK3CGSMN1; SMN2
SCHEMBL16631011 0.76 KDM4E (0.34) ALDH1A1KDM4EPOLBTSHRLMNA
SCHEMBL31238928 0.74 KDM4E (0.42) ALDH1A1KDM4EPOLBSMN1; SMN2DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170305922-A1 CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-10-26 US disclosed
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-12-20 US disclosed
US-7888376-B2 Cholesteryl ester transfer protein (CETP) inhibitors; atherosclerosis and cardiovascular diseases; N-(1-(5-chloropyridin-2-yl)-1-(3-fluoro-5-(trifluoromethyl)phenyl)-2-phenylethyl)-4-(trifluoromethyl)thiazol-2-amine; Alzheimer's, atherosclerosis, venous thrombosis, peripheral vascular disease BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-15 US disclosed
US-20110006670-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, NEW COMPOUND FOR THE SAME, DISPLAY DEVICE AND LIGHTING DEVICE USING THE SAME KONICA MINOLTA HOLDINGS, INC. (JP) 2011-01-13 US disclosed
US-7790770-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-07 US disclosed
US-7614145-B2 Method for manufacturing multilayer circuit board and resin base material ZEON CORPORATION (JP) 2009-11-10 US disclosed
CN-100496195-C Mulitilayer circuit board, resin base material, and its production method ZEON CORP (JP) 2009-06-03 CN disclosed
US-20080217617-A1 Thin Film Transistor, Wiring Board and Methods of Manufacturing the Same ZEON CORPORATION (JP) 2008-09-11 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
WO-2007062314-A2 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed
US-20050153059-A1 Partial plating method, partially-plated resin base, method for manufacturing multilayered circuit board ZEON CORPORATION (JP) 2005-07-14 US disclosed
US-20040237295-A1 Multilayer circuit board and resin base material, and its production method ZEON CORPORATION (JP) 2004-12-02 US disclosed
CN-1552174-A Mulitilayer circuit board, resin base material, and its production method �ձ�������ʽ���� 2004-12-01 CN 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 (5 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-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 ALDH1A1 2353/4885KDM4E 1618/4885POLB 380/4885
US-20170305922-A1 CARM1 INHIBITORS AND USES THEREOF CARM1, ADRM1, PRMT1 ALDH1A1 1286/4885KDM4E 892/4885POLB 1694/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 ALDH1A1 2353/4885KDM4E 1618/4885POLB 380/4885
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 ALDH1A1 2353/4885KDM4E 1618/4885POLB 380/4885
US-20110006670-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, NEW COMPOUND FOR THE SAME, DISPLAY DEVICE AND LIGHTING DEVICE USING THE SAME AOC2, AOC3, CDYL ALDH1A1 54/4885KDM4E 367/4885POLB 3643/4885

“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.