SCHEMBL19480613

SCHEMBL19480613

CCC(C)(C)c1cc(C(C)(C)C)on1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
EGFR P00533 4/20 0.40
MAPK14 Q16539 3/20 0.37
HPGD P15428 1/20 0.36
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
CNR1 P21554 3/20 0.33
CNR2 P34972 3/20 0.33
GAA P10253 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
PKM P14618 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL21970988 0.85 MAPK14 (0.36) MEN1KMT2AMAPK14CNR2
SCHEMBL22560698 0.85 MEN1 (0.40) MEN1KMT2AEGFRMAPK14HPGD
SCHEMBL24033648 0.85 MAPK14 (0.39) MEN1KMT2AMAPK14CNR1CNR2
SCHEMBL18643230 0.84 ALDH1A1 (0.38) MEN1KMT2AEGFRMAPK14CNR2
SCHEMBL9891487 0.82 EGFR (0.42) MEN1KMT2AEGFRMAPK14HPGD
SCHEMBL24033649 0.82 MAPK14 (0.34) MEN1KMT2AMAPK14
SCHEMBL84872 0.81 MEN1 (0.48) MEN1KMT2AEGFRMAPK14HPGD
SCHEMBL9891491 0.79 CNR1 (0.39) MEN1KMT2AEGFRMAPK14HPGD
SCHEMBL18642861 0.79 MAPK14 (0.33) MAPK14
SCHEMBL25803019 0.78 MEN1 (0.38) MEN1KMT2AEGFRMAPK14HPGD

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 3 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-20170298029-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2017-10-19 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-11713321-B2 Inhibitors of NEK7 kinase NEK7, NEK1, NEK5 MEN1 1766/4885KMT2A 2554/4885EGFR 4553/4885
US-20170298029-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF MEN1 2033/4885KMT2A 1484/4885EGFR 504/4885
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME NEK7, NLRP3, NOD1 MEN1 3098/4885KMT2A 4530/4885EGFR 4872/4885

“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.