SCHEMBL5839718

SCHEMBL5839718

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
SCHEMBL5840189 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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10866241-B2 Method for the prognosis and treatment of cancer metastasis INSTITUCIO CATALANA DE RECERCA I ESTUDIS AVANCATS (ES) 2020-12-15 US claimed
EP-3825692-B1 METHOD FOR THE PROGNOSIS AND TREATMENT OF CANCER METASTASIS FUNDACIO INST DE RECERCA BIOMEDICA IRB BARCELONA (ES) 2024-09-04 EP disclosed
US-11337981-B2 Dual CLK/CDK1 inhibitors for cancer treatment SRI INTERNATIONAL (US) 2022-05-24 US disclosed
EP-3553186-B1 METHOD FOR THE DIAGNOSIS, PROGNOSIS AND TREATMENT OF PROSTATE CANCER METASTASIS INBIOMOTION SL (ES) 2021-11-17 EP disclosed
EP-3825692-A1 METHOD FOR THE PROGNOSIS AND TREATMENT OF CANCER METASTASIS Fundació Institut de Recerca Biomèdica (IRB Barcelona) (ES) 2021-05-26 EP disclosed
US-20200390772-A1 DUAL CLK/CDK1 INHIBITORS FOR CANCER TREATMENT SRI INTERNATIONAL 2020-12-17 US disclosed
EP-3272880-B1 METHOD FOR THE DIAGNOSIS, PROGNOSIS AND TREATMENT OF METASTATIC CANCER FUNDACIO INST DE RECERCA BIOMEDICA IRB BARCELONA (ES) 2020-11-25 EP disclosed
EP-2971113-B1 METHOD FOR THE PROGNOSIS AND TREATMENT OF CANCER METASTASIS FUNDACIO INST DE RECERCA BIOMEDICA IRB BARCELONA (ES) 2020-08-12 EP disclosed
US-10722515-B2 Dual CLK/CDK1 inhibitors for cancer treatment SRI INTERNATIONAL (US) 2020-07-28 US disclosed
EP-2836837-B1 METHOD FOR THE PROGNOSIS AND TREATMENT OF CANCER METASTASIS FUNDACIO INST DE RECERCA BIOMEDICA IRB BARCELONA (ES) 2020-04-22 EP disclosed
US-9925202-B2 Treatment of lymphangioleiomyomatosis BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2018-03-27 US disclosed
EP-3272880-A2 METHOD FOR THE DIAGNOSIS, PROGNOSIS AND TREATMENT OF METASTATIC CANCER Fundació Institut de Recerca Biomèdica IRB (Barcelona) (ES) 2018-01-24 EP disclosed
EP-3091085-A1 METHOD FOR THE DIAGNOSIS, PROGNOSIS AND TREATMENT OF BREAST CANCER METASTASIS Institució Catalana de Recerca I Estudis Avançats (ES) 2016-11-09 EP disclosed
US-20160022706-A1 TREATMENT OF LYMPHANGIOLEIOMYOMATOSIS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2016-01-28 US disclosed
US-20160022706-A1 TREATMENT OF LYMPHANGIOLEIOMYOMATOSIS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2016-01-28 US disclosed
EP-2975138-A2 METHOD FOR THE DIAGNOSIS, PROGNOSIS AND TREATMENT OF CANCER METASTASIS Fundació Institut de Recerca Biomèdica (IRB Barcelona) (ES) 2016-01-20 EP disclosed
EP-2626431-B1 METHOD FOR THE DIAGNOSIS, PROGNOSIS AND TREATMENT OF BREAST CANCER METASTASIS FUNDACIÓ INST DE RECERCA BIOMÈDICA IRB BARCELONA (ES) 2015-09-16 EP disclosed
EP-2626431-A2 METHOD FOR THE DIAGNOSIS, PROGNOSIS AND TREATMENT OF BREAST CANCER METASTASIS Fundació Privada Institut de Recerca Biomèdica (ES) 2013-08-14 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20160022706-A1 TREATMENT OF LYMPHANGIOLEIOMYOMATOSIS PTGER1, PTGS1, PTGES CDK1 397/4885CLK1 879/4885CLK2 1201/4885
US-10866241-B2 Method for the prognosis and treatment of cancer metastasis MAFG, BRCA1, BCOR CDK1 2928/4885CLK1 2678/4885CLK2 2987/4885

“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.