SCHEMBL5377547

SCHEMBL5377547

CC(C)(C)OC(=O)C1CNCCN1c1ccc(N)nc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
CASP3 P42574 1/20 0.34
GCKR Q14397 5/20 0.34
GCK P35557 4/20 0.33
ALOX5AP P20292 2/20 0.33
TRPC6 Q9Y210 4/20 0.32
ROCK2 O75116 1/20 0.32
AR P10275 1/20 0.32
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31
MMP1 P03956 1/20 0.31
MMP3 P08254 1/20 0.31
MMP7 P09237 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
FEN1 P39748 1/20 0.31

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
SCHEMBL27561229 0.80 SLC6A2 (0.44)
SCHEMBL7519138 0.78 ALDH1A1 (0.34) CASP3MMP1MMP3MMP7MMP9
SCHEMBL2298747 0.77 HTR2A (0.41)
SCHEMBL6069866 0.77 FPR2 (0.39) CASP3ALOX5APROCK2
SCHEMBL4615210 0.76 GPR119 (0.36)
SCHEMBL5674603 0.76 MAPT (0.50)
SCHEMBL6543170 0.75 HTT (0.42)
SCHEMBL27993761 0.75 HTR2A (0.38) ROCK2
SCHEMBL4429861 0.75 RAD52 (0.36) CASP3MMP9
SCHEMBL18291312 0.74 CHRNB2 (0.48) CHRNB2CHRNA4ALOX5APROCK2FEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787801-B2 Protein kinase inhibitors, preparation method and medical use thereof GAN & LEE PHARMACEUTICALS (CN) 2023-10-17 US disclosed
EP-3385262-B1 4-(3H-INDOL-5-YL)-N-(PYRIDIN-2-YL)PYRIMIDIN-2-AMINE DERIVATIVES AS PROTEIN KINASE INHIBITORS, PREPARATION METHOD AND MEDICAL USE THEREOF GAN & LEE PHARMACEUTICALS (CN) 2022-07-13 EP disclosed
US-20210371418-A1 PROTEIN KINASE INHIBITORS, PREPARATION METHOD AND MEDICAL USE THEREOF GAN & LEE PHARMACEUTICALS (CN) 2021-12-02 US disclosed
US-11091476-B2 Protein kinase inhibitors, preparation method and medical use thereof GAN & LEE PHARMACEUTICALS 2021-08-17 US disclosed
US-20200165239-A1 PROTEIN KINASE INHIBITORS, PREPARATION METHOD AND MEDICAL USE THEREOF GAN & LEE PHARMACEUTICALS (CN) 2020-05-28 US disclosed
EP-3385262-A1 PROTEIN KINASE INHIBITOR, PREPARATION METHOD AND MEDICAL USE THEREOF Gan & Lee Pharmaceuticals (CN) 2018-10-10 EP 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
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
US-20030149001-A1 2-(Pyridin-2-ylamino)-pyrido[2,3-d]pyrimidin-7-ones BARVIAN MARK (US) 2003-08-07 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 (6 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-11091476-B2 Protein kinase inhibitors, preparation method and medical use thereof ROR1, DMPK, CDK9 CHRNB2 3117/4885CHRNA4 3878/4885CASP3 1498/4885
US-20210371418-A1 PROTEIN KINASE INHIBITORS, PREPARATION METHOD AND MEDICAL USE THEREOF ROR1, DMPK, CDK9 CHRNB2 3117/4885CHRNA4 3878/4885CASP3 1498/4885
US-20200165239-A1 PROTEIN KINASE INHIBITORS, PREPARATION METHOD AND MEDICAL USE THEREOF ROR1, DMPK, CDK9 CHRNB2 3117/4885CHRNA4 3878/4885CASP3 1498/4885
US-20030149001-A1 2-(Pyridin-2-ylamino)-pyrido[2,3-d]pyrimidin-7-ones CDK4, CDK2, CDK1 CHRNB2 4587/4885CHRNA4 4253/4885CASP3 689/4885
US-11787801-B2 Protein kinase inhibitors, preparation method and medical use thereof ROR1, DMPK, CDK9 CHRNB2 3117/4885CHRNA4 3878/4885CASP3 1498/4885
US-20050137214-A1 2-(Pyridin-2-ylamino)-pyrido [2,3-D]pyrimidin-7-ones CDK4, CDK2, CDK3 CHRNB2 4521/4885CHRNA4 4194/4885CASP3 705/4885

“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.