SCHEMBL828151

SCHEMBL828151

Cc1ccnc(NCCO)c1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 3/20 0.63
NOS2 P35228 1/20 0.56
EGFR P00533 1/20 0.54
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
POLB P06746 3/20 0.53
ALDH1A1 P00352 5/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM4D Q6B0I6 1/20 0.47
NPC1 O15118 1/20 0.47
FDPS P14324 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 3/20 0.45
GAA P10253 1/20 0.45
LMNA P02545 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL8277604 0.89 KDM4D (0.60) KARS1NOS2EGFRKMT2AMEN1
SCHEMBL24709836 0.86 KDM4D (0.54) KARS1NOS2KMT2AMEN1POLB
SCHEMBL11961829 0.83 NOS2 (0.57) KARS1NOS2KMT2AMEN1POLB
SCHEMBL15830578 0.81 NOS2 (0.56) KARS1NOS2KMT2AMEN1POLB
Hydrochloric Acid SCHEMBL7622407 0.81 NOS2 (0.56) KARS1NOS2KMT2AMEN1POLB
SCHEMBL14125389 0.81 KARS1 (0.63) KARS1NOS2KMT2AMEN1POLB
SCHEMBL901241 0.79 KARS1 (1.00) KARS1EGFRKMT2AMEN1POLB
SCHEMBL12698 0.79 CYP2C19 (0.60) KARS1NOS2KMT2AMEN1POLB
SCHEMBL2130310 0.79 NOS2 (0.53) KARS1NOS2KMT2AMEN1POLB
SCHEMBL7833347 0.79 KARS1 (0.64) KARS1NOS2KMT2AMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023218201-A1 IKK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-11-16 WO disclosed
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP disclosed
US-20170066732-A1 ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE Jiangsu Kanion pharmaceutical CO. LTD (CN) 2017-03-09 US disclosed
US-20130243754-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2013-09-19 US disclosed
US-8372971-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2013-02-12 US disclosed
US-20120220584-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2012-08-30 US disclosed
US-8143419-B2 Trisubstituted 1,2,4-triazoles JANSSEN PHARMACEUTICA N. V. (BE) 2012-03-27 US disclosed
US-8143419-B2 Trisubstituted 1,2,4-triazoles JANSSEN PHARMACEUTICA N. V. (BE) 2012-03-27 US disclosed
US-8084618-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2011-12-27 US disclosed
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2010-12-30 US disclosed
US-7652051-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2010-01-26 US disclosed
US-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-08 US disclosed
US-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-08 US disclosed
WO-2007118903-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-25 WO disclosed
US-20060270714-A1 Novel n-substituted 2-aminopyridine derivatives ASTRAZENECA AB (SE) 2006-11-30 US disclosed
EP-1611100-A1 NOVEL N-SUBSTITUTED 2-AMINOPYRIDINE DERIVATIVES AstraZeneca AB (SE) 2006-01-04 EP disclosed
WO-2004087666-A1 NOVEL N-SUBSTITUTED 2-AMINOPYRIDINE DERIVATIVES ASTRAZENECA AB (SE) 2004-10-14 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 (6 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-20120220584-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS KARS1 1638/4885NOS2 2286/4885EGFR 4675/4885
US-20130243754-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS KARS1 1638/4885NOS2 2286/4885EGFR 4675/4885
US-20170066732-A1 ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE EIF2AK2, GTF3C5, GTF3C1 KARS1 2765/4885NOS2 2112/4885EGFR 2698/4885
US-20060270714-A1 Novel n-substituted 2-aminopyridine derivatives NOS1, NOS2, NOS3 KARS1 1542/4885NOS2 2/4885EGFR 4234/4885
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS KARS1 1638/4885NOS2 2286/4885EGFR 4675/4885
US-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES CHRNA1, CHRNA5, CHRNA3 KARS1 3033/4885NOS2 1821/4885EGFR 840/4885

“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.