SCHEMBL5840189

SCHEMBL5840189

CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3CCCC[C@H]3N)nc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 13/20 1.00
CLK1 P49759 7/20 1.00
CLK2 P49760 7/20 1.00
CLK4 Q9HAZ1 6/20 1.00
CCNB1 P14635 4/20 1.00
PRKCA P17252 4/20 1.00
CCNE1 P24864 3/20 1.00
CDK2 P24941 3/20 1.00
CDK4 P11802 2/20 1.00
CCND3 P30281 2/20 1.00
EGFR P00533 2/20 1.00
NPC1 O15118 1/20 1.00
CCNT1 O60563 1/20 1.00
EIF2AK2 P19525 1/20 1.00
CCNA2 P20248 1/20 1.00
CCND1 P24385 1/20 1.00
MTOR P42345 1/20 1.00
CDK7 P50613 1/20 1.00
CDK9 P50750 1/20 1.00
RAB9A P51151 1/20 1.00

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
SCHEMBL20028175 1.00 CDK1 (1.00) CDK1CLK1CLK2CLK4CCNB1
SCHEMBL5839925 1.00 CDK1 (1.00) CDK1CLK1CLK2CLK4CCNB1
SCHEMBL29386738 1.00 CDK1 (1.00) CDK1CLK1CLK2CLK4CCNB1
SCHEMBL5839928 1.00 CDK1 (1.00) CDK1CLK1CLK2CLK4CCNB1
SCHEMBL5839718 1.00 CDK1 (1.00) CDK1CLK1CLK2CLK4CCNB1
Hydrochloric Acid SCHEMBL30139897 0.99 MEN1 (1.00) CDK1CLK1CLK2CLK4CCNB1
Hydrochloric Acid SCHEMBL2515988 0.99 MEN1 (1.00) CDK1CLK1CLK2CLK4CCNB1
Hydrochloric Acid SCHEMBL2515986 0.99 MEN1 (1.00) CDK1CLK1CLK2CLK4CCNB1
Hydrochloric Acid SCHEMBL30555179 0.99 MEN1 (1.00) CDK1CLK1CLK2CLK4CCNB1
Hydrochloric Acid SCHEMBL2515982 0.99 MEN1 (1.00) CDK1CLK1CLK2CLK4CCNB1

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 11 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
US-7091346-B1 Purine derivatives and processes for their preparation NOVARTIS AG (CH) 2006-08-15 US disclosed
EP-0874846-B1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 2003-04-02 EP disclosed
EP-0874846-A1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION Novartis AG (CH) 1998-11-04 EP disclosed
WO-1997016452-A1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 1997-05-09 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 6/4885CLK1 2/4885CLK2 1/4885
US-20200390772-A1 DUAL CLK/CDK1 INHIBITORS FOR CANCER TREATMENT CLK2, CLK1, CLK3 CDK1 6/4885CLK1 2/4885CLK2 1/4885
US-10722515-B2 Dual CLK/CDK1 inhibitors for cancer treatment CLK2, CLK1, CLK3 CDK1 6/4885CLK1 2/4885CLK2 1/4885
US-20190255059-A1 DUAL CLK/CDK1 INHIBITORS FOR CANCER TREATMENT CLK2, CLK1, CLK3 CDK1 8/4885CLK1 2/4885CLK2 1/4885

“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.