SCHEMBL2666741

SCHEMBL2666741

N#Cc1ccccc1NC1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CTSK P43235 1/20 0.45
PDE5A O76074 1/20 0.44
PDE1A P54750 1/20 0.44
PDE1B Q01064 1/20 0.44
PDE1C Q14123 1/20 0.44
IDO1 P14902 1/20 0.44
HSD17B10 Q99714 2/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
F2R P25116 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
SCHEMBL3476117 0.98 KDM4E (0.56) KDM4EGAAMAPTKMT2AMEN1
SCHEMBL7526224 0.96 KMT2A (0.51) KDM4EGAAMAPTKMT2AMEN1
SCHEMBL24074639 0.92 KMT2A (0.47) KDM4EGAAMAPTKMT2AMEN1
SCHEMBL377808 0.84 CTSL (0.42) KDM4EGAAMAPTKMT2ACTSK
SCHEMBL4726704 0.84 KMT2A (0.45) KDM4EGAAMAPTKMT2AMEN1
SCHEMBL4725141 0.84 PRKCQ (0.52) KDM4EGAAMAPTKMT2AL3MBTL1
SCHEMBL10330184 0.83 CTSK (0.48) KDM4EGAAMAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL29882259 0.83 CTSL (0.41) KDM4EKMT2ACTSKHSD17B10HPGD
SCHEMBL4695801 0.82 IRAK4 (0.53) KMT2A
SCHEMBL11521138 0.80 KDM4E (0.69) KDM4EGAAMAPTKMT2AMEN1

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-20110313158-A1 Two Component Recyclable Heterogeneous Catalyst, Process for Preparation Thereof and its Use for Preparation of Amines COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2011-12-22 US claimed
WO-2010097815-A2 A TWO COMPONENT RECYCLABLE HETEROGENEOUS CATALYST, PROCESS FOR PREPARATION THEREOF AND ITS USE FOR PREPARATION OF AMINES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-09-02 WO claimed
US-20110313158-A1 Two Component Recyclable Heterogeneous Catalyst, Process for Preparation Thereof and its Use for Preparation of Amines COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2011-12-22 US disclosed
US-20110070297-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2011-03-24 US disclosed
US-20110070297-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2011-03-24 US disclosed
WO-2010097815-A2 A TWO COMPONENT RECYCLABLE HETEROGENEOUS CATALYST, PROCESS FOR PREPARATION THEREOF AND ITS USE FOR PREPARATION OF AMINES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-09-02 WO disclosed
US-20070197532-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-08-23 US disclosed
US-20070197532-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-08-23 US disclosed
WO-2007061923-A2 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2007-05-31 WO disclosed
US-20020193389-A1 Method of inhibiting neoplastic cells with imidazoquinazoline derivatives OSI PHARMACEUTICALS, INC. 2002-12-19 US disclosed
US-6127541-A 8-((DISUBSTITUTED AMINO)BENZYLAMINO)-2,3-DIHYDRO-1H-IMIDAZO(4,5-G)QUINAZOLINE-(2-THIONE OR 2-ONE); SELECTIVE CYCLIC GUANOSINE 3',5' MONOPHOSPHATE (CGMP)--SPECIFIC PHOSPHODIESTERASE (PDE) INHIBITORY ACTIVITY KYOWA HAKKO KOGYO CO., LTD. (JP) 2000-10-03 US disclosed
EP-0863144-A1 IMIDAZOQUINAZOLINE DERIVATIVES Kyowa Hakko Co., Ltd. (JP) 1998-09-09 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 (4 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-20070197532-A1 GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 KDM4E 2963/4885GAA 54/4885MAPT 3294/4885
US-20110070297-A1 GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 KDM4E 2963/4885GAA 54/4885MAPT 3294/4885
US-20110313158-A1 Two Component Recyclable Heterogeneous Catalyst, Process for Preparation Thereof and its Use for Preparation of Amines HCN2, RAC2, HCN1 KDM4E 2112/4885GAA 3033/4885MAPT 3456/4885
US-20020193389-A1 Method of inhibiting neoplastic cells with imidazoquinazoline derivatives MKI67, HRAS, VHL KDM4E 2757/4885GAA 2633/4885MAPT 4593/4885

“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.