SCHEMBL23326690

SCHEMBL23326690

CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Oc3ccc4c(c3)CN(C(=O)O)CC4)ccnc21

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.37
▸ MET P08581 5/20 0.36
▸ F10 P00742 7/20 0.35
▸ S1PR1 P21453 2/20 0.34
▸ PLG P00747 2/20 0.34
▸ PRSS1 P07477 1/20 0.34
▸ PRSS2 P07478 1/20 0.34
▸ PRSS3 P35030 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 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
SCHEMBL23326766 0.89 NR1H2 (0.47) HRH3METESR2
SCHEMBL23327039 0.86 KMT2A (0.36) HRH3METMEN1KMT2A
SCHEMBL23326809 0.84 MET (0.33) MET
SCHEMBL23326813 0.83 MET (0.36) METKMT2A
SCHEMBL23327025 0.81 MET (0.32) MET
SCHEMBL23327015 0.78 HDAC8 (0.38) —
SCHEMBL23751124 0.78 HRH3 (0.36) HRH3F10PLGPRSS1PRSS2
SCHEMBL23326995 0.76 MET (0.34) MET
SCHEMBL23327026 0.75 ESR2 (0.42) MEN1KMT2AESR2
SCHEMBL23326741 0.74 MET (0.33) MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210139484-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS GOSSAMER BIO SERVICES INC (US) 2021-05-13 — — 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 (1 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-20210139484-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS ULK1, PHKG2, PHKG1 HRH3 334/4885MET 1391/4885F10 4793/4885

“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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