SCHEMBL29915610

SCHEMBL29915610

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.43
LMNA P02545 4/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
ALOX15 P16050 3/20 0.41
TP53 P04637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
CDK4 P11802 7/20 0.40
CCND1 P24385 7/20 0.40
NAMPT P43490 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
ALDH1A1 P00352 3/20 0.39

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
SCHEMBL21758309 1.00 GBA1 (0.43) GBA1LMNAKMT2AMEN1CYP1A2
SCHEMBL31297719 0.92 GBA1 (0.45) GBA1LMNAKMT2AMEN1CYP1A2
SCHEMBL21758434 0.92 GBA1 (0.45) GBA1LMNAKMT2AMEN1CYP1A2
SCHEMBL21753165 0.91 GBA1 (0.44) GBA1LMNAKMT2AMEN1CYP1A2
SCHEMBL31297699 0.91 GBA1 (0.44) GBA1LMNAKMT2AMEN1CYP1A2
SCHEMBL21753305 0.89 GBA1 (0.44) GBA1LMNAKMT2AMEN1CYP1A2
SCHEMBL31297725 0.89 GBA1 (0.44) GBA1LMNAKMT2AMEN1CYP1A2
SCHEMBL21758751 0.88 GBA1 (0.42) GBA1LMNAKMT2AMEN1CYP1A2
SCHEMBL30170882 0.88 GBA1 (0.42) GBA1LMNAKMT2AMEN1CYP1A2
SCHEMBL21753189 0.88 GBA1 (0.44) GBA1LMNAKMT2AMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12221439-B2 Tetrahydropyridopyrimidine derivatives as AhR modulators JAGUAHR THERAPEUTICS PTE LTD (SG) 2025-02-11 US claimed
EP-3841102-B1 TETRAHYDROPYRIDOPYRIMIDINE DERIVATIVES AS AHR MODULATORS JAGUAHR THERAPEUTICS PTE LTD (SG) 2022-09-14 EP 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-12221439-B2 Tetrahydropyridopyrimidine derivatives as AhR modulators AHR, ARNT, NQO1 GBA1 4716/4885LMNA 4390/4885KMT2A 890/4885

“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.