SCHEMBL1408413

SCHEMBL1408413

COc1ccccc1-n1nc(C(C)(C)C)cc1N

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 2/20 0.42
MAPK14 Q16539 1/20 0.40
ALDH1A1 P00352 4/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
KCNN4 O15554 1/20 0.39
GRN P28799 1/20 0.38
SORT1 Q99523 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HCAR1 Q9BXC0 1/20 0.37
MGLL Q99685 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ADRA2B P18089 1/20 0.37
PTGS1 P23219 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL29394648 1.00 NR1I2 (0.42) NR1I2MAPK14ALDH1A1LMNASMN1; SMN2
SCHEMBL16794534 0.87 PTGS2 (0.48) MAPK14ALDH1A1SMN1; SMN2ADORA3ADORA2A
SCHEMBL3973567 0.84 NR1I2 (0.52) NR1I2ALDH1A1LMNAKDM4EMAPT
SCHEMBL15887794 0.84 NR1I2 (0.45) NR1I2MAPK14ALDH1A1LMNASMN1; SMN2
SCHEMBL1013289 0.80 ALDH1A1 (0.56) MAPK14ALDH1A1SMN1; SMN2GRNSORT1
SCHEMBL1826994 0.80 CYP1A2 (0.56) MAPK14ALDH1A1LMNASMN1; SMN2KCNN4
SCHEMBL12789828 0.80 ALDH1A1 (0.41) NR1I2MAPK14ALDH1A1LMNASMN1; SMN2
SCHEMBL3976046 0.79 C5AR1 (0.42) MAPK14ALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL15007938 0.79 GRN (0.43) MAPK14ALDH1A1LMNASMN1; SMN2GRN
SCHEMBL1011502 0.79 MAPK14 (0.43) MAPK14ALDH1A1SMN1; SMN2GRNSORT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114144410-A Polyarylurea derivatives and their use in the treatment of muscular diseases 阿纳格纳斯生物技术股份有限公司 2022-03-04 CN disclosed
US-20120184561-A1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2012-07-19 US disclosed
US-8030311-B2 Phenylacetamides suitable as protein kinase inhibitors NOVARTIS AG (CH) 2011-10-04 US disclosed
EP-1874770-B1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2011-03-09 EP disclosed
US-20080319005-A1 Phenylacetamides Suitable as Protein Kinase Inhibitors NOVARTIS AG (CH) 2008-12-25 US disclosed
EP-1874770-A1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS Novartis Pharma AG (CH) 2008-01-09 EP disclosed
WO-2006108640-A1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2006-10-19 WO disclosed
CN-1756849-A Modulation of protein functionality DECIPHERA PHARMACEUTICALS LLC (US) 2006-04-05 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 (2 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-20120184561-A1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS MAP3K10, MAP3K20, MAP3K9 NR1I2 1978/4885MAPK14 81/4885ALDH1A1 3213/4885
US-20080319005-A1 Phenylacetamides Suitable as Protein Kinase Inhibitors MAP3K20, MAP3K10, MAP3K9 NR1I2 1793/4885MAPK14 80/4885ALDH1A1 2992/4885

“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.