SCHEMBL4835935

SCHEMBL4835935

Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CCNCC4)cn3)ncc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 1.00
CCND1 P24385 16/20 1.00
CCND2 P30279 11/20 1.00
CCND3 P30281 11/20 1.00
FGFR1 P11362 5/20 0.81
FGFR2 P21802 5/20 0.81
FGFR4 P22455 5/20 0.81
FGFR3 P22607 5/20 0.81
NUAK1 O60285 1/20 0.81
CCNA2 P20248 5/20 0.74
CDK2 P24941 5/20 0.74
CCNA1 P78396 4/20 0.74
CDK6 Q00534 7/20 0.72
CDK1 P06493 3/20 0.70
CCNB1 P14635 3/20 0.70
FLT3 P36888 3/20 0.70
CHEK1 O14757 1/20 0.70
DAPK3 O43293 1/20 0.70
CCNT1 O60563 1/20 0.70
CCNT2 O60583 1/20 0.70

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
SCHEMBL29507502 1.00 CDK4 (1.00) CDK4CCND1CCND2CCND3FGFR1
Hydrochloric Acid SCHEMBL4830677 0.99 CDK4 (0.98) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL6944231 0.89 CDK4 (1.00) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL27394857 0.89 CDK4 (0.80) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL7071397 0.89 CDK4 (0.98) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL15874562 0.87 CDK4 (0.77) CDK4CCND1CCND2CCND3FGFR1
Hydrochloric Acid SCHEMBL6938660 0.86 CDK4 (0.98) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL24073209 0.86 CDK4 (0.75) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL6222296 0.85 CDK4 (1.00) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL19630085 0.85 CDK4 (0.79) CDK4CCND1CCND2CCND3FGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114245753-A Combination of an anti-HER 2 antibody and a CDK inhibitor for tumor therapy 江苏康宁杰瑞生物制药有限公司 2022-03-25 CN claimed
CN-111686081-A Pyridine oxide derivative-loaded nano-microsphere and application thereof 黄泳华 2020-09-22 CN claimed
CN-111574518-A Pyridine oxide derivative and composition, preparation method and application thereof 黄泳华 2020-08-25 CN claimed
US-7456168-B2 2-(pyridin-2-ylamino)-pyrido[2,3, d]pyrimidin-7-ones WARNER-LAMBERT COMPANY (US) 2008-11-25 US claimed
US-7208489-B2 Inhibitors of cyclin-dependent kinases 4 (cdk4); treating proliferative disorders such as cancer; salt of 6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-yl-pyridin-2-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one for example WARNER-LAMBERT COMPANY (US) 2007-04-24 US claimed
EP-1470124-B1 2-(PYRIDIN-2-YLAMINO)-PYRIDO 2,3-d]PYRIMIDIN-7-ONES WARNER LAMBERT CO (US) 2005-12-28 EP claimed
US-20050137214-A1 2-(Pyridin-2-ylamino)-pyrido [2,3-D]pyrimidin-7-ones WARNER-LAMBERT COMPANY 2005-06-23 US claimed
EP-1470124-A1 2-(PYRIDIN-2-YLAMINO)-PYRIDO 2,3-d]PYRIMIDIN-7-ONES Warner-Lambert Company LLC (US) 2004-10-27 EP claimed
US-20030149001-A1 2-(Pyridin-2-ylamino)-pyrido[2,3-d]pyrimidin-7-ones BARVIAN MARK (US) 2003-08-07 US claimed
WO-2003062236-A1 2-(PYRIDIN-2-YLAMINO)-PYRIDO[2,3d]PYRIMIDIN-7-ONES WARNER-LAMBERT COMPANY LLC (US) 2003-07-31 WO claimed
US-20230132667-A1 DRUG-LIKE MOLECULES AND METHODS FOR THE THERAPEUTIC TARGETING OF VIRAL RNA STRUCTURES UNIVERSITY OF WASHINGTON (US) 2023-05-04 US disclosed
US-20230132667-A1 DRUG-LIKE MOLECULES AND METHODS FOR THE THERAPEUTIC TARGETING OF VIRAL RNA STRUCTURES UNIVERSITY OF WASHINGTON (US) 2023-05-04 US disclosed
US-20230118053-A1 COMBINATION OF ANTI-HER2 ANTIBODY AND CDK INHIBITIOR FOR TUMOR TREATMENT JIANGSU ALPHAMAB BIOPHARMACEUTICALS CO., LTD. (CN) 2023-04-20 US disclosed
US-11332467-B2 Solid state forms of palbociclib dimesylate PLANTEX LTD. (IL) 2022-05-17 US disclosed
US-11332467-B2 Solid state forms of palbociclib dimesylate PLANTEX LTD. (IL) 2022-05-17 US disclosed
US-6936612-B2 2-(Pyridin-2-ylamino)-pyrido[2,3-d]pyrimidin-7-ones WARNER-LAMBERT COMPANY (US) 2005-08-30 US disclosed
US-20050137214-A1 2-(Pyridin-2-ylamino)-pyrido [2,3-D]pyrimidin-7-ones WARNER-LAMBERT COMPANY 2005-06-23 US disclosed
EP-1470124-A1 2-(PYRIDIN-2-YLAMINO)-PYRIDO 2,3-d]PYRIMIDIN-7-ONES Warner-Lambert Company LLC (US) 2004-10-27 EP disclosed
US-20030149001-A1 2-(Pyridin-2-ylamino)-pyrido[2,3-d]pyrimidin-7-ones BARVIAN MARK (US) 2003-08-07 US disclosed
WO-2003062236-A1 2-(PYRIDIN-2-YLAMINO)-PYRIDO[2,3d]PYRIMIDIN-7-ONES WARNER-LAMBERT COMPANY LLC (US) 2003-07-31 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 (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-20230132667-A1 DRUG-LIKE MOLECULES AND METHODS FOR THE THERAPEUTIC TARGETING OF VIRAL RNA STRUCTURES TARBP1, TARDBP, SNRPE CDK4 2249/4885CCND1 3841/4885CCND2 4023/4885
US-20030149001-A1 2-(Pyridin-2-ylamino)-pyrido[2,3-d]pyrimidin-7-ones CDK4, CDK2, CDK1 CDK4 1/4885CCND1 27/4885CCND2 33/4885
US-11332467-B2 Solid state forms of palbociclib dimesylate CDK4, SETD1B, CDK3 CDK4 1/4885CCND1 171/4885CCND2 214/4885
US-20230118053-A1 COMBINATION OF ANTI-HER2 ANTIBODY AND CDK INHIBITIOR FOR TUMOR TREATMENT CDK6, CDK4, CDK2 CDK4 2/4885CCND1 55/4885CCND2 42/4885
US-20050137214-A1 2-(Pyridin-2-ylamino)-pyrido [2,3-D]pyrimidin-7-ones CDK4, CDK2, CDK3 CDK4 1/4885CCND1 34/4885CCND2 35/4885

“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.