SCHEMBL20028282

SCHEMBL20028282

COCCNc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 9/20 0.79
CCNB1 P14635 5/20 0.79
EIF2AK2 P19525 1/20 0.79
GSK3B P49841 1/20 0.79
MERTK Q12866 1/20 0.79
CDK5 Q00535 8/20 0.77
CDK5R1 Q15078 7/20 0.77
KDM4E B2RXH2 4/20 0.77
MAPK1 P28482 2/20 0.77
MAPT P10636 3/20 0.66
NPSR1 Q6W5P4 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
CCNB2 O95067 3/20 0.66
CCNB3 Q8WWL7 3/20 0.66
CDK4 P11802 2/20 0.66
MEN1 O00255 1/20 0.66
PAK4 O96013 1/20 0.66
CCNE2 O96020 1/20 0.66
ALDH1A1 P00352 1/20 0.66
TP53 P04637 1/20 0.66

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
SCHEMBL31694379 0.89 CDK1 (1.00) CDK1CCNB1EIF2AK2GSK3BMERTK
SCHEMBL5840520 0.89 CDK1 (0.82) CDK1CCNB1EIF2AK2GSK3BMERTK
SCHEMBL1181087 0.89 CDK1 (1.00) CDK1CCNB1EIF2AK2GSK3BMERTK
SCHEMBL31484383 0.89 CDK1 (1.00) CDK1CCNB1EIF2AK2GSK3BMERTK
SCHEMBL5745937 0.86 CDK1 (0.70) CDK1CCNB1EIF2AK2GSK3BMERTK
SCHEMBL7093069 0.85 CDK1 (0.79) CDK1CCNB1EIF2AK2GSK3BMERTK
SCHEMBL5745946 0.84 CDK1 (0.67) CDK1CCNB1EIF2AK2GSK3BMERTK
SCHEMBL5745957 0.84 CDK1 (0.67) CDK1CCNB1EIF2AK2GSK3BMERTK
SCHEMBL21282802 0.84 CDK1 (0.74) CDK1CCNB1EIF2AK2GSK3BMERTK
SCHEMBL5745971 0.84 CDK1 (0.66) CDK1CCNB1EIF2AK2GSK3BMERTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4086257-A1 DUAL CLK/CDK1 INHIBITORS FOR CANCER TREATMENT SRI International (US) 2022-11-09 EP disclosed
US-11337981-B2 Dual CLK/CDK1 inhibitors for cancer treatment SRI INTERNATIONAL (US) 2022-05-24 US disclosed
US-11337981-B2 Dual CLK/CDK1 inhibitors for cancer treatment SRI INTERNATIONAL (US) 2022-05-24 US disclosed
US-20200390772-A1 DUAL CLK/CDK1 INHIBITORS FOR CANCER TREATMENT SRI INTERNATIONAL 2020-12-17 US disclosed
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
WO-2018064545-A1 DUAL CLK/CDK1 INHIBITORS FOR CANCER TREATMENT SRI INTERNATIONAL (US) 2018-04-05 WO 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 (4 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-11337981-B2 Dual CLK/CDK1 inhibitors for cancer treatment CLK2, CLK1, CLK3 CDK1 6/4885CCNB1 251/4885EIF2AK2 143/4885
US-20200390772-A1 DUAL CLK/CDK1 INHIBITORS FOR CANCER TREATMENT CLK2, CLK1, CLK3 CDK1 6/4885CCNB1 251/4885EIF2AK2 143/4885
US-10722515-B2 Dual CLK/CDK1 inhibitors for cancer treatment CLK2, CLK1, CLK3 CDK1 6/4885CCNB1 251/4885EIF2AK2 143/4885
US-20190255059-A1 DUAL CLK/CDK1 INHIBITORS FOR CANCER TREATMENT CLK2, CLK1, CLK3 CDK1 8/4885CCNB1 259/4885EIF2AK2 275/4885

“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.