SCHEMBL21282792

SCHEMBL21282792

CC(C)n1cnc2c(Nc3cc(Cl)cc(CC(C)n4cnc5c(Nc6cc(Cl)cc(CC(C)n7cnc8c(Nc9cccc(Cl)c9)nc(N[C@H]9CCCNC9)nc87)c6)nc(N[C@@H]6CCCNC6)nc54)c3)nc(N[C@H]3CCNC3)nc21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK1 P49759 12/20 0.71
▸ CLK2 P49760 12/20 0.71
▸ CLK4 Q9HAZ1 12/20 0.71
▸ CDK1 P06493 6/20 0.61
▸ CCNB1 P14635 4/20 0.57
▸ CDK4 P11802 2/20 0.57
▸ CCND3 P30281 1/20 0.57
▸ EIF2AK2 P19525 1/20 0.52
▸ GSK3B P49841 1/20 0.52
▸ MERTK Q12866 1/20 0.52
▸ KDM4E B2RXH2 4/20 0.51
▸ CDK5 Q00535 3/20 0.51
▸ CDK5R1 Q15078 3/20 0.51
▸ MAPT P10636 3/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ CCNB2 O95067 1/20 0.51
▸ PAK4 O96013 1/20 0.51
▸ CCNE2 O96020 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51

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
SCHEMBL22783739 1.00 CLK1 (0.71) CLK1CLK2CLK4CDK1CCNB1
SCHEMBL21282798 0.99 CLK1 (0.72) CLK1CLK2CLK4CDK1CCNB1
SCHEMBL21282779 0.97 CLK1 (0.72) CLK1CLK2CLK4CDK1CCNB1
SCHEMBL20028271 0.91 CLK1 (0.80) CLK1CLK2CLK4CDK1CCNB1
SCHEMBL20027791 0.91 CLK1 (0.80) CLK1CLK2CLK4CDK1CCNB1
SCHEMBL20027789 0.91 CLK1 (0.80) CLK1CLK2CLK4CDK1CCNB1
SCHEMBL20027793 0.89 CLK1 (0.79) CLK1CLK2CLK4CDK1CCNB1
SCHEMBL20027792 0.89 CLK1 (0.79) CLK1CLK2CLK4CDK1CCNB1
SCHEMBL20028201 0.89 CLK1 (0.79) CLK1CLK2CLK4CDK1CCNB1
SCHEMBL20028328 0.84 CLK1 (1.00) CLK1CLK2CLK4CDK1CCNB1

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-10722515-B2 Dual CLK/CDK1 inhibitors for cancer treatment SRI INTERNATIONAL (US) 2020-07-28 — — US disclosed
US-20190255059-A1 DUAL CLK/CDK1 INHIBITORS FOR CANCER TREATMENT SRI INTERNATIONAL 2019-08-22 — — 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-10722515-B2 Dual CLK/CDK1 inhibitors for cancer treatment CLK2, CLK1, CLK3 CLK1 2/4885CLK2 1/4885CLK4 4/4885
US-20190255059-A1 DUAL CLK/CDK1 INHIBITORS FOR CANCER TREATMENT CLK2, CLK1, CLK3 CLK1 2/4885CLK2 1/4885CLK4 4/4885

“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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