SCHEMBL4828517

SCHEMBL4828517

CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1(C)C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.50
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
RAB9A P51151 1/20 0.46
POLB P06746 1/20 0.46
CHRNB2 P17787 2/20 0.40
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
CHRNA4 P43681 2/20 0.40
GPR119 Q8TDV5 2/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
MET P08581 2/20 0.39
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL6675465 0.94 MAPT (0.45) MAPTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL9068219 0.94 MAPT (0.45) MAPTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL27031050 0.89 MAPT (0.49) MAPTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL20838955 0.89 MAPT (0.49) MAPTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL30558295 0.89 MAPT (0.49) MAPTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL27676282 0.85 MAPT (0.53) MAPTSMN1; SMN2RAB9APOLBCHRNB2
SCHEMBL5724734 0.85 MAPT (0.68) MAPTALDH1A1LMNASMN1; SMN2POLB
SCHEMBL1990092 0.83 NR1H2 (0.42) MAPTALDH1A1LMNASMN1; SMN2GPR119
SCHEMBL30419374 0.83 NR1H2 (0.42) MAPTALDH1A1LMNASMN1; SMN2GPR119
SCHEMBL1392727 0.82 MAPT (0.68) MAPTALDH1A1LMNASMN1; SMN2RAB9A

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
CN-118871445-A Fused triazinone derivatives and methods of use thereof 亚根达医疗公司 2024-10-29 CN disclosed
WO-2023086959-A1 FUSED TRIAZINONE DERIVATIVES AND METHODS OF USING THE SAME RGENTA THERAPEUTICS, INC. (US) 2023-05-19 WO disclosed
US-7456168-B2 2-(pyridin-2-ylamino)-pyrido[2,3, d]pyrimidin-7-ones WARNER-LAMBERT COMPANY (US) 2008-11-25 US disclosed
US-20070179118-A1 2-(PYRIDIN-2-YLAMINO)-PYRIDO [2,3 D]PYRIMIDIN-7-ONES WARNER-LAMBERT COMPANY 2007-08-02 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 (3 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 MAPT 3765/4885ALDH1A1 1299/4885LMNA 2026/4885
US-20070179118-A1 2-(PYRIDIN-2-YLAMINO)-PYRIDO [2,3 D]PYRIMIDIN-7-ONES CDK4, CDK2, CDKL4 MAPT 3714/4885ALDH1A1 1438/4885LMNA 2270/4885
US-20050137214-A1 2-(Pyridin-2-ylamino)-pyrido [2,3-D]pyrimidin-7-ones CDK4, CDK2, CDK3 MAPT 3732/4885ALDH1A1 1683/4885LMNA 1984/4885

“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.