SCHEMBL21890147

SCHEMBL21890147

CC(C)(C)OC(=O)N1CCCC[C@@H](n2c(N)nc3cc(OCc4ccccc4)cc(Cl)c32)C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 8/20 0.46
▸ BTK Q06187 1/20 0.45
▸ YAP1 P46937 3/20 0.40
▸ USP30 Q70CQ3 1/20 0.40
▸ GPR119 Q8TDV5 2/20 0.39
▸ TNF P01375 2/20 0.39
▸ LITAF Q99732 2/20 0.39
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ SRC P12931 1/20 0.38
▸ CHEK2 O96017 1/20 0.37

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
SCHEMBL18681336 0.87 BTK (0.41) BTKGPR119TNFLITAFCHEK2
SCHEMBL21890594 0.85 BTK (0.43) PRMT5BTKGPR119TNFLITAF
SCHEMBL17121730 0.84 BTK (0.43) BTKGPR119TNFLITAFCHEK2
SCHEMBL20506848 0.83 EGFR (0.56) PRMT5BTKUSP30EGFR
SCHEMBL20506847 0.83 EGFR (0.56) PRMT5BTKUSP30EGFR
SCHEMBL19037547 0.83 BTK (0.42) BTKTNFLITAFCHEK2
SCHEMBL29531255 0.82 HSD11B1 (0.46) PRMT5BTKUSP30TNFLITAF
SCHEMBL16767775 0.82 HSD11B1 (0.46) PRMT5BTKUSP30TNFLITAF
SCHEMBL16767773 0.82 HSD11B1 (0.46) PRMT5BTKUSP30TNFLITAF
SCHEMBL21890766 0.81 BTK (0.39) BTKUSP30TNFLITAFCHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230271938-A1 BENZIMIDAZOLES FOR USE IN THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES CAPELLA THERAPEUTICS, INC. 2023-08-31 — — US disclosed
US-20200216419-A1 BENZIMIDAZOLES FOR USE IN THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES CAPELLA THERAPEUTICS, INC. 2020-07-09 — — US disclosed
US-10590108-B2 Benzimidazoles for use in the treatment of cancer and inflammatory diseases CAPELLA THERAPEUTICS, INC. (US) 2020-03-17 — — 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 (3 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-20200216419-A1 BENZIMIDAZOLES FOR USE IN THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES CHKB, CHKA, CHUK PRMT5 1903/4885BTK 257/4885YAP1 4050/4885
US-10590108-B2 Benzimidazoles for use in the treatment of cancer and inflammatory diseases CHKB, CHKA, CHUK PRMT5 1903/4885BTK 257/4885YAP1 4050/4885
US-20230271938-A1 BENZIMIDAZOLES FOR USE IN THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES CHKB, CHKA, CHUK PRMT5 1903/4885BTK 257/4885YAP1 4050/4885

“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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