SCHEMBL26799792

SCHEMBL26799792

Cc1cnc(NC(=O)Nc2cc(Br)c(C)cc2OC[C@@H]2CN(C(C)C)CCO2)cn1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 12/20 0.68
▸ FECH P22830 1/20 0.68
▸ KCNH2 Q12809 1/20 0.68
▸ HRH3 Q9Y5N1 4/20 0.43
▸ RPS6KA3 P51812 3/20 0.40
▸ SRPK1 Q96SB4 3/20 0.40
▸ MAP4K4 O95819 2/20 0.40
▸ RET P07949 2/20 0.40
▸ FLT4 P35916 2/20 0.40
▸ CLK2 P49760 2/20 0.40
▸ GSK3B P49841 2/20 0.40
▸ IRAK1 P51617 2/20 0.40
▸ BRSK1 Q8TDC3 2/20 0.40
▸ MAP4K5 Q9Y4K4 2/20 0.40
▸ KDR P35968 2/20 0.40
▸ PLK4 O00444 1/20 0.40
▸ PDPK1 O15530 1/20 0.40
▸ CSF1R P07333 1/20 0.40
▸ FER P16591 1/20 0.40
▸ FLT3 P36888 1/20 0.40

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
SCHEMBL26799830 0.93 CHEK1 (0.58) CHEK1FECHKCNH2HRH3RPS6KA3
SCHEMBL16366493 0.89 CHEK1 (0.71) CHEK1FECHKCNH2RPS6KA3SRPK1
SCHEMBL16366039 0.87 CHEK1 (0.69) CHEK1FECHKCNH2RPS6KA3SRPK1
SCHEMBL13551232 0.83 CHEK1 (0.75) CHEK1FECHKCNH2RPS6KA3SRPK1
Rabusertib SCHEMBL304748 0.81 CHEK1 (1.00) CHEK1FECHKCNH2RPS6KA3SRPK1
Rabusertib SCHEMBL30403507 0.81 CHEK1 (1.00) CHEK1FECHKCNH2RPS6KA3SRPK1
Rabusertib SCHEMBL304747 0.81 CHEK1 (1.00) CHEK1FECHKCNH2RPS6KA3SRPK1
SCHEMBL18347830 0.80 CHEK1 (0.59) CHEK1FECHKCNH2RPS6KA3SRPK1
SCHEMBL18347838 0.79 CHEK1 (0.58) CHEK1FECHKCNH2RPS6KA3SRPK1
SCHEMBL304885 0.78 CHEK1 (0.56) CHEK1FECHKCNH2GSK3BKDR

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-11826430-B2 Anti-cancer nuclear hormone receptor-targeting compounds NUVATION BIO INC. (US) 2023-11-28 — — US disclosed
US-11826430-B2 Anti-cancer nuclear hormone receptor-targeting compounds NUVATION BIO INC. (US) 2023-11-28 — — 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-11826430-B2 Anti-cancer nuclear hormone receptor-targeting compounds NCOA1, NCOR1, NCOA3 CHEK1 1233/4885FECH 2738/4885KCNH2 4878/4885

“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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