SCHEMBL21267598

SCHEMBL21267598

CC(C)c1ccc(CN2CCC(C(C)(C)C)CC2)cn1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MGAT2 Q10469 1/20 0.46
▸ TRPV6 Q9H1D0 2/20 0.40
▸ PRMT5 O14744 2/20 0.40
▸ WDR77 Q9BQA1 2/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ HRH3 Q9Y5N1 2/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ LMNA P02545 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ PDCD1 Q15116 1/20 0.37
▸ CD274 Q9NZQ7 1/20 0.37
▸ TLR9 Q9NR96 1/20 0.37
▸ TLR8 Q9NR97 1/20 0.37
▸ TLR7 Q9NYK1 1/20 0.37
▸ NR1H2 P55055 1/20 0.37
▸ NR1H3 Q13133 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ ATM Q13315 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
SCHEMBL20203580 0.84 ALDH1A1 (0.50) PRMT5WDR77KMT2AHRH3GAA
SCHEMBL24681792 0.83 MGAT2 (0.44) MGAT2TRPV6KMT2AHRH3HRH1
SCHEMBL20203465 0.82 HRH3 (0.50) PRMT5WDR77KMT2AHRH3ACHE
SCHEMBL20037688 0.82 PARP1 (0.42) PRMT5WDR77KMT2AHRH3LMNA
SCHEMBL12028959 0.82 HRH3 (0.47) PRMT5WDR77KMT2AHRH3CD274
SCHEMBL4547913 0.82 HRH3 (0.50) PRMT5WDR77HRH3
SCHEMBL24540312 0.82 PRMT5 (0.40) TRPV6PRMT5WDR77KMT2AHRH3
SCHEMBL13374354 0.82 KMT2A (0.57) MGAT2KMT2AHRH3LMNAMEN1
SCHEMBL13374345 0.82 MGAT2 (0.46) MGAT2TRPV6KMT2AHRH3HRH1
SCHEMBL20203525 0.81 ACHE (0.43) PRMT5WDR77KMT2AHRH3TLR9

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-11174252-B2 Heterocyclic compounds as kinase inhibitors NUVATION BIO INC. (US) 2021-11-16 — — US disclosed
US-20190248774-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-08-15 — — 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-11174252-B2 Heterocyclic compounds as kinase inhibitors CDK6, CDK4, CDK9 MGAT2 4062/4885TRPV6 3132/4885PRMT5 1585/4885
US-20190248774-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 MGAT2 4288/4885TRPV6 3738/4885PRMT5 1737/4885

“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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