SCHEMBL4830882

SCHEMBL4830882

O=c1ccc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 1.00
CCND1 P24385 19/20 1.00
CCND2 P30279 12/20 1.00
CCND3 P30281 12/20 1.00
FGFR1 P11362 9/20 1.00
FGFR2 P21802 9/20 1.00
FGFR4 P22455 9/20 1.00
FGFR3 P22607 9/20 1.00
CCNA2 P20248 8/20 1.00
CDK2 P24941 8/20 1.00
CCNA1 P78396 5/20 1.00
CCNE2 O96020 1/20 0.78
CCNE1 P24864 1/20 0.78
CDK6 Q00534 1/20 0.69

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
SCHEMBL29507526 1.00 CDK4 (1.00) CDK4CCND1CCND2CCND3FGFR1
Hydrochloric Acid SCHEMBL4833048 0.99 CDK4 (0.98) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL29507408 0.99 CDK4 (1.00) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL4833026 0.99 CDK4 (1.00) CDK4CCND1CCND2CCND3FGFR1
Hydrochloric Acid SCHEMBL4833091 0.98 CDK4 (0.98) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL4830665 0.95 CDK4 (1.00) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL29507611 0.95 CDK4 (1.00) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL15874336 0.86 CDK4 (0.76) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL15874579 0.85 CDK4 (0.75) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL6221730 0.84 CDK4 (1.00) 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 25 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
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-20230118053-A1 COMBINATION OF ANTI-HER2 ANTIBODY AND CDK INHIBITIOR FOR TUMOR TREATMENT JIANGSU ALPHAMAB BIOPHARMACEUTICALS CO., LTD. (CN) 2023-04-20 US disclosed
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 disclosed
US-20180250400-A1 Therapeutic Combinations of a BTK Inhibitor, a PI3K Inhibitor, a JAK-2 Inhibitor, and/or a CDK4/6 Inhibitor ACERTA PHARMA BV (NL) 2018-09-06 US disclosed
US-20180087079-A1 METHODS OF USING CELL-CYCLE INHIBITORS TO MODULATE ONE OR MORE PROPERTIES OF A CELL CULTURE AMGEN INC. (US) 2018-03-29 US disclosed
US-20170224819-A1 Therapeutic Combinations of a BTK Inhibitor, a PI3K Inhibitor, a JAK-2 Inhibitor, and/or a CDK 4/6 Inhibitor ACERTA PHARMA BV (NL) 2017-08-10 US disclosed
WO-2016024232-A1 THERAPEUTIC COMBINATIONS OF A BTK INHIBITOR, A PI3K INHIBITOR, A JAK-2 INHIBITOR AND/OR A CDK 4/6 INHIBITOR ACERTA PHARMA B.V. (NL) 2016-02-18 WO disclosed
US-20150353542-A1 METHODS OF USING CELL-CYCLE INHIBITORS TO MODULATE ONE OR MORE PROPERTIES OF A CELL CULTURE AMGEN INC. (US) 2015-12-10 US disclosed
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 disclosed
EP-1470124-B1 2-(PYRIDIN-2-YLAMINO)-PYRIDO 2,3-d]PYRIMIDIN-7-ONES WARNER LAMBERT CO (US) 2005-12-28 EP 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 (7 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-20030149001-A1 2-(Pyridin-2-ylamino)-pyrido[2,3-d]pyrimidin-7-ones CDK4, CDK2, CDK1 CDK4 1/4885CCND1 27/4885CCND2 33/4885
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-20180250400-A1 Therapeutic Combinations of a BTK Inhibitor, a PI3K Inhibitor, a JAK-2 Inhibitor, and/or a CDK4/6 Inhibitor BTK, JAK2, CDK4 CDK4 3/4885CCND1 64/4885CCND2 45/4885
US-20170224819-A1 Therapeutic Combinations of a BTK Inhibitor, a PI3K Inhibitor, a JAK-2 Inhibitor, and/or a CDK 4/6 Inhibitor BTK, CDK6, CDK4 CDK4 3/4885CCND1 73/4885CCND2 51/4885
US-20050137214-A1 2-(Pyridin-2-ylamino)-pyrido [2,3-D]pyrimidin-7-ones CDK4, CDK2, CDK3 CDK4 1/4885CCND1 34/4885CCND2 35/4885
US-20180087079-A1 METHODS OF USING CELL-CYCLE INHIBITORS TO MODULATE ONE OR MORE PROPERTIES OF A CELL CULTURE CDKN1A, CDC25C, CDC25B CDK4 18/4885CCND1 52/4885CCND2 61/4885
US-20150353542-A1 METHODS OF USING CELL-CYCLE INHIBITORS TO MODULATE ONE OR MORE PROPERTIES OF A CELL CULTURE CDKN1A, CDC25C, CDC25B CDK4 18/4885CCND1 52/4885CCND2 61/4885

“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.