SCHEMBL1115132

SCHEMBL1115132

O=C(O)N1CCN(c2ccc(Nc3ncc4c(n3)C3(CCOCC3)Oc3c(F)cccc3-4)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ STAT6 P42226 6/20 0.44
▸ SYK P43405 3/20 0.43
▸ JAK2 O60674 1/20 0.42
▸ CDK4 P11802 2/20 0.41
▸ CCND1 P24385 2/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ BTK Q06187 1/20 0.41
▸ WEE1 P30291 4/20 0.41
▸ ALK Q9UM73 1/20 0.40
▸ TNK2 Q07912 1/20 0.40
▸ BRD4 O60885 1/20 0.40

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
SCHEMBL12162440 0.89 CCND3 (0.51) STAT6SYKJAK2CDK4CCND1
SCHEMBL1115541 0.87 WEE1 (0.52) STAT6SYKJAK2CDK4WEE1
SCHEMBL1115314 0.81 ALK (0.41) STAT6SYKJAK2CDK4CCND1
SCHEMBL1115328 0.80 WEE1 (0.52) STAT6CDK4CCND1WEE1TNK2
SCHEMBL1115321 0.80 ALK (0.42) STAT6SYKCDK4CCND1WEE1
SCHEMBL2569620 0.74 ALK (0.45) STAT6SYKCDK4CCND1ALK
SCHEMBL1115440 0.73 CDK4 (0.48) STAT6CDK4CCND1WEE1
SCHEMBL1115284 0.71 CDK4 (0.49) STAT6CDK4CCND1WEE1
SCHEMBL1642972 0.71 CDK6 (0.49) CDK4CCND1
SCHEMBL12162407 0.71 CCND3 (0.52) SYKJAK2CDK4CCND1ALK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365523-A1 PROCESS FOR PREPARING 3-(CYCLOHEX-1-EN-1-YL)PROPANAL DERIVATIVES FIRMENICH SA (CH) 2023-11-16 — — US disclosed
CN-116018334-A Process for preparing 3- (cyclohex-1-en-1-yl) propanal derivatives 弗门尼舍有限公司 2023-04-25 — — CN disclosed
EP-4153552-A2 PROCESS AND INTERMEDIATES FOR PREPARING 3-(CYCLOHEX-1-EN-1-YL) PROPANAL DERIVATIVES Firmenich SA (CH) 2023-03-29 — — EP disclosed
WO-2022049036-A2 PROCESS FOR PREPARING 3-(CYCLOHEX-1-EN-1-YL)PROPANAL DERIVATIVES FIRMENICH SA (CH) 2022-03-10 — — WO disclosed
US-8389533-B2 Gem-disubstituted and spirocyclic amino pyridines/pyrimidines as cell cycle inhibitors AMGEN INC. (US) 2013-03-05 — — US disclosed
EP-2278973-B1 GEM-DISUBSTITUTED AND SPIROCYCLIC AMINO PYRIDINES/PYRIMIDINES AS CELL CYCLE INHIBITORS AMGEN INC (US) 2011-11-02 — — EP disclosed
US-20110097305-A1 Gem-Disubstituted and Spirocyclic Amino Pyridines/Pyrimidines as Cell Cycle Inhibitors AMGEN INC. (US) 2011-04-28 — — US disclosed
EP-2278973-A1 GEM-DISUBSTITUTED AND SPIROCYCLIC AMINO PYRIDINES/PYRIMIDINES AS CELL CYCLE INHIBITORS Amgen Inc. (US) 2011-02-02 — — EP disclosed
WO-2009126584-A1 GEM-DISUBSTITUTED AND SPIROCYCLIC AMINO PYRIDINES/PYRIMIDINES AS CELL CYCLE INHIBITORS AMGEN INC. (US) 2009-10-15 — — 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 (2 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-20110097305-A1 Gem-Disubstituted and Spirocyclic Amino Pyridines/Pyrimidines as Cell Cycle Inhibitors CDK4, CDK3, CDK6 STAT6 1458/4885SYK 3022/4885JAK2 333/4885
US-20230365523-A1 PROCESS FOR PREPARING 3-(CYCLOHEX-1-EN-1-YL)PROPANAL DERIVATIVES CYP1A1, CYP51A1, HPD STAT6 4170/4885SYK 4352/4885JAK2 4718/4885

“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.

Send feedback