SCHEMBL22308297

SCHEMBL22308297

CCCCCCC(CCCCC)Cc1ncccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.42
▸ PRSS1 P07477 1/20 0.36
▸ PRSS2 P07478 1/20 0.36
▸ PRSS3 P35030 1/20 0.36
▸ SLC2A1 P11166 1/20 0.36
▸ CSNK1E P49674 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TLR8 Q9NR97 1/20 0.35
▸ BDKRB2 P30411 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP19A1 P11511 1/20 0.34

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
SCHEMBL22308475 0.83 LMNA (0.41) LMNAPRSS1PRSS2PRSS3SLC2A1
SCHEMBL22307824 0.83 LMNA (0.41) LMNAPRSS1PRSS2PRSS3SLC2A1
SCHEMBL29058174 0.79 GRIN2D (0.44) LMNAPRSS1PRSS2PRSS3CSNK1E
SCHEMBL21770640 0.79 GRIN2D (0.44) LMNAPRSS1PRSS2PRSS3CSNK1E
SCHEMBL19732279 0.79 GRIN2D (0.44) LMNAPRSS1PRSS2PRSS3CSNK1E
SCHEMBL19963496 0.77 LMNA (0.38) LMNAPRSS1PRSS2PRSS3SLC2A1
SCHEMBL23844725 0.76 KCNH2 (0.42) LMNAPRSS1PRSS2PRSS3CSNK1E
SCHEMBL18647910 0.76 KCNH2 (0.42) LMNAPRSS1PRSS2PRSS3CSNK1E
SCHEMBL9819021 0.73 NAAA (0.50) LMNAKDM4EUSP2ALOX15ALOX12
SCHEMBL7524061 0.73 NAAA (0.50) LMNAKDM4EUSP2ALOX15ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11358940-B2 K-Ras modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-06-14 — — US disclosed
US-20200247762-A1 K-RAS MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-08-06 — — 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 (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-20200247762-A1 K-RAS MODULATORS KRAS, HRAS, NRAS LMNA 4191/4885PRSS1 1598/4885PRSS2 2500/4885
US-11358940-B2 K-Ras modulators KRAS, HRAS, NRAS LMNA 4093/4885PRSS1 2288/4885PRSS2 2951/4885

“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.

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