SCHEMBL23327039

SCHEMBL23327039

CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Oc3cc4c(cc3F)CCN(C(=O)O)C4)ccnc21

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HCRTR2 O43614 6/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MET P08581 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MDM2 Q00987 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HCRTR1 O43613 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
SCHEMBL23327026 0.89 ESR2 (0.42) KMT2AMEN1HCRTR2MAPTMAPK1
SCHEMBL23326690 0.86 HRH3 (0.37) KMT2AMEN1HRH3MET
SCHEMBL23326759 0.84 MET (0.31) MET
SCHEMBL23326814 0.76 ABHD6 (0.33) METMAPK1
SCHEMBL23326766 0.75 NR1H2 (0.47) HRH3METMAPTMAPK1
SCHEMBL21470423 0.75 ESR2 (0.41) KMT2AMEN1HCRTR2METMAPT
SCHEMBL23327025 0.73 MET (0.32) MET
SCHEMBL23326813 0.71 MET (0.36) KMT2AKDM4EMETNPC1
SCHEMBL23326809 0.70 MET (0.33) MET
SCHEMBL31412994 0.69 MAPK1 (0.54) KMT2AMEN1KDM4EHSD17B10ALOX15

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 KMT2A 697/4885MEN1 2519/4885KDM4E 1512/4885

“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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