SCHEMBL3775943

SCHEMBL3775943

NC(=O)Cc1ccnc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.60
LOXL2 Q9Y4K0 1/20 0.59
NCF1 P14598 1/20 0.48
FERMT2 Q96AC1 1/20 0.46
HTR1A P08908 2/20 0.43
ADRA1D P25100 2/20 0.43
ADRA1A P35348 2/20 0.43
ADRA1B P35368 2/20 0.43
PTPN1 P18031 1/20 0.43
PTPN11 Q06124 1/20 0.43
FAAH O00519 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
PTK2B Q14289 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
HIF1A Q16665 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
SCHEMBL3783847 0.88 GLS (0.49) CYP1A2LOXL2SMN1; SMN2MAPTMAPK9
SCHEMBL5508700 0.86 CYP1A2 (0.60) CYP1A2LOXL2NCF1FERMT2HTR1A
SCHEMBL5456634 0.84 CYP1A2 (0.67) CYP1A2LOXL2NCF1FERMT2HTR1A
SCHEMBL6670697 0.82 CYP1A2 (0.60) CYP1A2LOXL2NCF1FERMT2HTR1A
Hydrochloric Acid SCHEMBL3805296 0.82 CYP1A2 (0.65) CYP1A2LOXL2NCF1FERMT2HTR1A
SCHEMBL25139494 0.79 CYP1A2 (0.57) CYP1A2LOXL2NCF1FERMT2HTR1A
SCHEMBL5239658 0.79 CYP1A2 (0.61) CYP1A2LOXL2NCF1HTR1AADRA1D
SCHEMBL29987166 0.79 CYP1A2 (0.61) CYP1A2LOXL2NCF1HTR1AADRA1D
SCHEMBL30394745 0.78 LCK (0.45) CYP1A2LOXL2NCF1ADRA1ASMN1; SMN2
SCHEMBL14075592 0.78 LOXL2 (0.54) CYP1A2LOXL2NCF1FERMT2HTR1A

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-20220081427-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2022-03-17 US disclosed
US-20200277285-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2020-09-03 US disclosed
US-20190194176-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2019-06-27 US disclosed
US-20180319780-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2018-11-08 US disclosed
US-20180037577-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2018-02-08 US disclosed
US-9796706-B2 Inhibitors of Jun N-terminal kinase IMAGO PHARMACEUTICALS, INC. (US) 2017-10-24 US disclosed
US-20170107209-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2017-04-20 US disclosed
US-20150259330-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2015-09-17 US disclosed
US-9073891-B2 Inhibitors of Jun N-terminal kinase IMAGO PHARMACEUTICALS, INC. (US) 2015-07-07 US disclosed
US-8450363-B2 Inhibitors of Jun N-terminal kinase ELAN PHARMACEUTICALS, INC. (US) 2013-05-28 US disclosed
US-20130072494-A1 INHIBITORS OF JUN N-TERMINAL KINASE ELAN PHARMACEUTICALS, INC. 2013-03-21 US disclosed
US-20100331335-A1 Inhibitors of Jun N-Terminal Kinase ELAN PHARMACETICALS, INC. 2010-12-30 US disclosed
CN-1193016-C Process for synthesizing inhibitor of phosphatidase A2 UNIV BEIJING (CN) 2005-03-16 CN disclosed
CN-1502609-A Process for synthesizing inhibitor of phosphatidase A2 北京大学 2004-06-09 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 (9 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-20190194176-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 CYP1A2 3825/4885LOXL2 3707/4885NCF1 928/4885
US-20150259330-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 CYP1A2 3825/4885LOXL2 3707/4885NCF1 928/4885
US-20170107209-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 CYP1A2 3825/4885LOXL2 3707/4885NCF1 928/4885
US-20180037577-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 CYP1A2 3825/4885LOXL2 3707/4885NCF1 928/4885
US-20130072494-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 CYP1A2 3825/4885LOXL2 3707/4885NCF1 928/4885
US-20220081427-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 CYP1A2 3825/4885LOXL2 3707/4885NCF1 928/4885
US-20200277285-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 CYP1A2 3825/4885LOXL2 3707/4885NCF1 928/4885
US-20180319780-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 CYP1A2 3825/4885LOXL2 3707/4885NCF1 928/4885
US-20100331335-A1 Inhibitors of Jun N-Terminal Kinase CHUK, MAPK6, MAPK3 CYP1A2 3825/4885LOXL2 3707/4885NCF1 928/4885

“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.