SCHEMBL9891487

SCHEMBL9891487

CC(C)(C)c1cc(C(C)(C)CO)no1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 1/20 0.38
CNR2 P34972 9/20 0.38
CNR1 P21554 6/20 0.38
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MAPK14 Q16539 2/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL19480613 0.82 MEN1 (0.46) EGFRMEN1KMT2AHPGDCNR2
SCHEMBL24033995 0.82 CNR2 (0.38) CNR2CNR1
SCHEMBL22560698 0.79 MEN1 (0.40) EGFRMEN1KMT2AHPGDCNR2
SCHEMBL84872 0.79 MEN1 (0.48) EGFRMEN1KMT2AHPGDCNR2
SCHEMBL9947014 0.78 CNR2 (0.39) EGFRCNR2CNR1NPC1RAB9A
SCHEMBL9891491 0.78 CNR1 (0.39) EGFRMEN1KMT2AHPGDCNR2
SCHEMBL13230275 0.78 MEN1 (0.44) EGFRMEN1KMT2AHPGDCNR2
SCHEMBL1013248 0.77 CNR2 (0.38) CNR2CNR1ALDH1A1
SCHEMBL25803019 0.77 MEN1 (0.38) EGFRMEN1KMT2AHPGDNPC1
SCHEMBL14723928 0.76 CNR2 (0.40) CNR2CNR1NPC1RAB9AALDH1A1

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
US-11713321-B2 Inhibitors of NEK7 kinase Halia Therapeutics, Inc. (US) 2023-08-01 US disclosed
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 US disclosed
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 US disclosed
US-20230203045-A1 INHIBITORS OF NEK7 KINASE Halia Therapeutics, Inc. 2023-06-29 US disclosed
US-20230203045-A1 INHIBITORS OF NEK7 KINASE Halia Therapeutics, Inc. 2023-06-29 US disclosed
US-11161852-B1 Inhibitors of NEK7 kinase Halia Therapeutics, Inc. (US) 2021-11-02 US disclosed
US-8383615-B2 Azetidine 2-carboxamide derivatives which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-26 US disclosed
US-20120142666-A1 Azetidine 2-Carboxamide Derivatives Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 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 (5 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 EGFR 4664/4885MEN1 1800/4885KMT2A 2881/4885
US-11713321-B2 Inhibitors of NEK7 kinase NEK7, NEK1, NEK5 EGFR 4553/4885MEN1 1766/4885KMT2A 2554/4885
US-20120142666-A1 Azetidine 2-Carboxamide Derivatives Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 EGFR 500/4885MEN1 4667/4885KMT2A 1863/4885
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME NEK7, NLRP3, NOD1 EGFR 4872/4885MEN1 3098/4885KMT2A 4530/4885
US-11161852-B1 Inhibitors of NEK7 kinase NEK7, NEK1, NEK5 EGFR 4553/4885MEN1 1766/4885KMT2A 2554/4885

“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.