SCHEMBL21776431

SCHEMBL21776431

Cc1ccc(C)c(CN(C)Cc2nccn2Cc2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ HSP90AA1 P07900 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ BRD4 O60885 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ LMNA P02545 1/20 0.37
▸ HSP90AB1 P08238 1/20 0.36
▸ HSP90B1 P14625 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ADRA2C P18825 1/20 0.36

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
SCHEMBL18997999 0.88 HSP90AA1 (0.48) RAB9AL3MBTL1ALDH1A1KMT2AHSP90AA1
SCHEMBL3985913 0.74 HSP90AA1 (0.50) RAB9AL3MBTL1ALDH1A1KMT2AHSP90AA1
SCHEMBL27951252 0.71 HSP90AA1 (0.51) ALDH1A1KMT2AHSP90AA1MEN1HSD17B10
SCHEMBL156000 0.70 HSP90AA1 (0.56) ALDH1A1KMT2AHSP90AA1MEN1HSD17B10
SCHEMBL7215496 0.69 HSP90AA1 (0.52) ALDH1A1KMT2AHSP90AA1MEN1HSD17B10
Methane SCHEMBL15121694 0.69 HSP90AA1 (0.55) ALDH1A1KMT2AHSP90AA1MEN1HSD17B10
Hydrochloric Acid SCHEMBL20191167 0.69 HSP90AA1 (0.55) ALDH1A1KMT2AHSP90AA1MEN1HSD17B10
SCHEMBL1723554 0.68 HSP90AA1 (0.57) ALDH1A1KMT2AHSP90AA1MEN1HSD17B10
SCHEMBL955143 0.68 HSP90AA1 (0.57) RAB9AALDH1A1KMT2AHSP90AA1MEN1
SCHEMBL11291538 0.68 HSP90AA1 (0.65) HSP90AA1BRD4HSD17B10HSP90AB1HSP90B1

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-11000515-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-05-11 — — US disclosed
US-20200061037-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, INC. 2020-02-27 — — 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-11000515-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS RAB9A 36/4885L3MBTL1 1677/4885ALDH1A1 3448/4885
US-20200061037-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS RAB9A 36/4885L3MBTL1 1677/4885ALDH1A1 3448/4885

“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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