SCHEMBL3548656

SCHEMBL3548656

Cc1ncc(-c2ccnc(Nc3ccc(N4CCN(C(=O)CO)CC4)cc3)n2)n1C(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 17/20 1.00
KCNH2 Q12809 8/20 0.73
CDK1 P06493 5/20 0.66
CCNT1 O60563 1/20 0.58
CDK4 P11802 1/20 0.58
CCNB1 P14635 1/20 0.58
CSNK2A2 P19784 1/20 0.58
CCNA2 P20248 1/20 0.58
CCND1 P24385 1/20 0.58
CCNE1 P24864 1/20 0.58
CCND3 P30281 1/20 0.58
MAPK8 P45983 1/20 0.58
MAPK9 P45984 1/20 0.58
CSNK1A1 P48729 1/20 0.58
CSNK1D P48730 1/20 0.58
GSK3A P49840 1/20 0.58
GSK3B P49841 1/20 0.58
CDK7 P50613 1/20 0.58
CDK9 P50750 1/20 0.58
CCNH P51946 1/20 0.58

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
SCHEMBL3551129 0.92 CDK2 (0.85) CDK2KCNH2CDK1CCNT1CDK4
SCHEMBL3557385 0.91 CDK2 (0.83) CDK2KCNH2CDK1CCNT1CDK4
SCHEMBL3558916 0.91 CDK2 (1.00) CDK2KCNH2CDK1CDK4
SCHEMBL3549598 0.90 CDK2 (0.83) CDK2KCNH2CDK1CCNT1CDK4
Hydrochloric Acid SCHEMBL3551819 0.89 CDK2 (0.80) CDK2KCNH2CDK1CCNT1CDK4
SCHEMBL1447857 0.86 CDK2 (0.79) CDK2KCNH2CDK1CCNT1CDK4
SCHEMBL1447340 0.85 CDK2 (0.78) CDK2KCNH2CDK1CCNT1CDK4
SCHEMBL1447737 0.85 CDK2 (0.77) CDK2KCNH2CDK1
SCHEMBL1448457 0.85 CDK2 (0.77) CDK2KCNH2CDK1CCNT1CDK4
SCHEMBL1447649 0.84 CDK2 (0.79) CDK2KCNH2CDK1CCNT1CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7655652-B2 2-{4-[4-(2-hydroxyacetyl)piperazin-1-yl]anilino}-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-5-fluoropyrimidine hydrochloride; cell cycle inhibitory; rheumatoid arthritis ASTRAZENECA AB (SE) 2010-02-02 US claimed
US-20070161615-A1 Chemical compounds ASTRAZENECA AB (SE) 2007-07-12 US claimed
EP-1748999-A1 IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION AstraZeneca AB (SE) 2007-02-07 EP claimed
WO-2005075461-A1 IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2005-08-18 WO claimed
US-20240034799-A1 METHODS AND SYSTEMS OF STRATIFYING INFLAMMATORY DISEASE PATIENTS CEDARS SINAI MEDICAL CENTER (US) 2024-02-01 US disclosed
EP-4256086-A1 METHODS AND SYSTEMS OF STRATIFYING INFLAMMATORY DISEASE PATIENTS Cedars-Sinai Medical Center (US) 2023-10-11 EP disclosed
US-20230279491-A1 TREATMENTS FOR A SUB-POPULATION OF INFLAMMATORY BOWEL DISEASE PATIENTS CEDARS-SINAI MEDICAL CENTER 2023-09-07 US disclosed
EP-4162076-A1 TREATMENTS FOR A SUB-POPULATION OF INFLAMMATORY BOWEL DISEASE PATIENTS Cedars-Sinai Medical Center (US) 2023-04-12 EP disclosed
WO-2022119842-A1 METHODS AND SYSTEMS OF STRATIFYING INFLAMMATORY DISEASE PATIENTS CEDARS-SINAI MEDICAL CENTER (US) 2022-06-09 WO disclosed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed
US-7655652-B2 2-{4-[4-(2-hydroxyacetyl)piperazin-1-yl]anilino}-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-5-fluoropyrimidine hydrochloride; cell cycle inhibitory; rheumatoid arthritis ASTRAZENECA AB (SE) 2010-02-02 US disclosed
US-20070161615-A1 Chemical compounds ASTRAZENECA AB (SE) 2007-07-12 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-20070161615-A1 Chemical compounds MKI67, PCNA, CCNI CDK2 84/4885KCNH2 4616/4885CDK1 31/4885

“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.