SCHEMBL21753189

SCHEMBL21753189

O=C(O)NCC(=O)N1CCc2c(nc(-c3cncc(F)c3)nc2NCCc2c[nH]c3ccccc23)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.44
CDK4 P11802 6/20 0.40
CCND1 P24385 6/20 0.40
SIRT1 Q96EB6 1/20 0.40
NAMPT P43490 1/20 0.40
ALDH1A1 P00352 2/20 0.39
GLA P06280 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
LMNA P02545 2/20 0.38
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
PTGDR2 Q9Y5Y4 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
SCHEMBL31297725 0.91 GBA1 (0.44) GBA1CDK4CCND1SIRT1NAMPT
SCHEMBL21753305 0.91 GBA1 (0.44) GBA1CDK4CCND1SIRT1NAMPT
SCHEMBL29915594 0.90 GBA1 (0.39) GBA1CDK4CCND1SIRT1NAMPT
SCHEMBL21758748 0.90 GBA1 (0.39) GBA1CDK4CCND1SIRT1NAMPT
SCHEMBL21758434 0.89 GBA1 (0.45) GBA1CDK4CCND1SIRT1NAMPT
SCHEMBL31297719 0.89 GBA1 (0.45) GBA1CDK4CCND1SIRT1NAMPT
SCHEMBL31297699 0.88 GBA1 (0.44) GBA1CDK4CCND1SIRT1NAMPT
SCHEMBL21753165 0.88 GBA1 (0.44) GBA1CDK4CCND1SIRT1NAMPT
SCHEMBL21758309 0.88 GBA1 (0.43) GBA1CDK4CCND1SIRT1NAMPT
SCHEMBL29915610 0.88 GBA1 (0.43) GBA1CDK4CCND1SIRT1NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210332041-A1 TETRAHYDROPYRIDOPYRIMIDINE DERIVATIVES AS AHR MODULATORS JAGUAHR THERAPEUTICS PTE LTD (SG) 2021-10-28 US disclosed
EP-3841102-A1 TETRAHYDROPYRIDOPYRIMIDINE DERIVATIVES AS AHR MODULATORS JAGUAHR THERAPEUTICS PTE LTD (SG) 2021-06-30 EP disclosed
WO-2020039093-A1 TETRAHYDROPYRIDOPYRIMIDINE DERIVATIVES AS AHR MODULATORS JAGUAHR THERAPEUTICS PTE LTD (SG) 2020-02-27 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 (1 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-20210332041-A1 TETRAHYDROPYRIDOPYRIMIDINE DERIVATIVES AS AHR MODULATORS AHR, ARNT, NQO1 GBA1 4716/4885CDK4 1047/4885CCND1 2191/4885

“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.