SCHEMBL11965637

SCHEMBL11965637

CC(=O)c1cnn(C)c1N

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.40
ALDH1A1 P00352 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
KDM4E B2RXH2 3/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
POLB P06746 1/20 0.37
PROKR1 Q8TCW9 1/20 0.37
MAPT P10636 2/20 0.36
RIPK2 O43353 1/20 0.36
HSD17B10 Q99714 2/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
MAPK14 Q16539 2/20 0.34
LMNA P02545 2/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 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
SCHEMBL174225 0.83 RIPK2 (0.51) ALDH1A1TDP1KDM4ENPC1RAB9A
SCHEMBL535661 0.83 KDM4E (0.44) ALDH1A1TDP1KDM4ENPC1RAB9A
SCHEMBL27714949 0.82 PROKR1 (0.39) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL9921391 0.80 POLB (0.39) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL3436120 0.79 CYP1A2 (0.51) ALDH1A1TDP1KDM4ENPC1RAB9A
SCHEMBL22336048 0.79 RAB9A (0.39) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL2061609 0.79 MAPK14 (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL10452886 0.79 PROKR1 (0.35) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL1641560 0.77 SMN1; SMN2 (0.54) MAPK1ALDH1A1TDP1KDM4ENPC1
SCHEMBL21938820 0.77 MAPK1 (0.41) MAPK1ALDH1A1TDP1KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115151550-B External nucleotide pyrophosphatase/phosphodiesterase 1 (ENPP 1) modulators and uses thereof 桑福德·伯纳姆·普雷比医学发现研究所 2024-11-22 CN disclosed
WO-2021133915-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) MODULATORS AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2021-07-01 WO disclosed
WO-2020161208-A1 HERBICIDAL FUSED PYRIDAZINE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-08-13 WO disclosed
WO-2018033082-A1 INHIBITORS OF INFLUENZA VIRUS REPLICATION, APPLICATION METHODS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2018-02-22 WO disclosed
US-8580838-B2 5-membered heterocycle-based p38 kinase inhibitors NOVARTIS AG (CH) 2013-11-12 US disclosed
US-20130172352-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2013-07-04 US disclosed
US-8410160-B2 5-membered heterocycle-based P38 kinase inhibitors NOVARTIS AG (CH) 2013-04-02 US disclosed
US-20120264801-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2012-10-18 US disclosed
US-8242117-B2 5-membered heterocycle-based p38 kinase inhibitors NOVARTIS AG (CH) 2012-08-14 US disclosed
US-20110071152-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS MEREO BIOPHARMA 1 LIMINTED (GB) 2011-03-24 US disclosed
US-7863314-B2 5-membered heterocycle-based p38 kinase inhibitors NOVARTIS AG (CH) 2011-01-04 US 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-20130172352-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS MAPK1, MAP3K1, MAP3K8 MAPK1 1/4885ALDH1A1 2270/4885TDP1 1070/4885
US-20120264801-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS MAPK1, MAP3K1, MAP3K8 MAPK1 1/4885ALDH1A1 2270/4885TDP1 1070/4885
US-20110071152-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS MAPK1, MAP3K1, MAP3K8 MAPK1 1/4885ALDH1A1 2142/4885TDP1 1097/4885

“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.