SCHEMBL9893042

SCHEMBL9893042

CC(=O)Nc1cc(C(C)(C)C)ns1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
PKM P14618 2/20 0.42
ALOX15 P16050 2/20 0.42
HSD17B10 Q99714 1/20 0.42
RPS6KA2 Q15349 1/20 0.42
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
SMARCA2 P51531 1/20 0.38
SMARCA4 P51532 1/20 0.38
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
MAPK14 Q16539 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 2/20 0.33
DYRK1A Q13627 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 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
SCHEMBL9891515 0.84 L3MBTL1 (0.41) GAARPS6KA2ALDH1A1SMARCA2SMARCA4
SCHEMBL11119552 0.83 ALDH1A1 (0.50) GAAPKMRPS6KA2ALDH1A1SMARCA2
SCHEMBL11119842 0.81 SMARCA2 (0.39) RPS6KA2TDP1SMARCA2SMARCA4KDM4E
SCHEMBL9893167 0.81 SMN1; SMN2 (0.43) PKMRPS6KA2ALDH1A1TDP1SMARCA2
SCHEMBL11121488 0.79 SMARCA2 (0.40) RPS6KA2ALDH1A1SMARCA2SMARCA4KDM4E
SCHEMBL11119728 0.78 ABCC1 (0.38) GAAHSD17B10RPS6KA2ALDH1A1SMARCA2
SCHEMBL11121539 0.77 PIK3CD (0.46) GAARPS6KA2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL11116634 0.77 RPS6KA2 (0.36) GAARPS6KA2ALDH1A1SMARCA2SMARCA4
SCHEMBL11117030 0.77 RPS6KA2 (0.36) RPS6KA2ALDH1A1SMARCA2SMARCA4MAPK14
SCHEMBL11117863 0.77 MEN1 (0.40) PKMRPS6KA2ALDH1A1TDP1SMARCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203045-A1 INHIBITORS OF NEK7 KINASE Halia Therapeutics, Inc. 2023-06-29 US disclosed
EP-2443107-B1 AZETIDINE 2 -CARBOXAMIDE DERIVATIVES WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2018-08-08 EP disclosed
US-8889670-B2 Heterocyclic compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US disclosed
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
EP-2217565-B1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2013-05-22 EP disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
US-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 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-20230203045-A1 INHIBITORS OF NEK7 KINASE NEK7, NEK1, NEK5 GAA 4273/4885PKM 768/4885ALOX15 3641/4885
US-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 GAA 4497/4885PKM 4070/4885ALOX15 483/4885
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 GAA 4474/4885PKM 2979/4885ALOX15 966/4885

“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.