SCHEMBL29915604

SCHEMBL29915604

Fc1cncc(-c2nc3c(c(NCCc4c[nH]c5ccccc45)n2)CCNC3)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.50
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
USP2 O75604 4/20 0.42
LMNA P02545 4/20 0.42
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2D6 P10635 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
ALDH1A1 P00352 3/20 0.42
CLK4 Q9HAZ1 2/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PAK4 O96013 4/20 0.41
ALOX15 P16050 1/20 0.40
CDK4 P11802 2/20 0.40
CCND1 P24385 2/20 0.40
POLB P06746 1/20 0.40
SLC2A1 P11166 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
SCHEMBL23928087 1.00 GBA1 (0.50) GBA1KMT2AMEN1USP2LMNA
Hydrochloric Acid SCHEMBL30170922 0.99 GBA1 (0.49) GBA1KMT2AMEN1USP2LMNA
SCHEMBL21753174 0.94 GBA1 (0.51) GBA1KMT2AMEN1USP2LMNA
SCHEMBL21758439 0.93 GBA1 (0.52) GBA1KMT2AMEN1USP2LMNA
Hydrochloric Acid SCHEMBL30170901 0.93 GBA1 (0.50) GBA1KMT2AMEN1USP2LMNA
SCHEMBL21758333 0.92 GBA1 (0.54) GBA1KMT2AMEN1USP2LMNA
SCHEMBL21753202 0.92 GBA1 (0.40) GBA1KMT2AMEN1USP2LMNA
SCHEMBL31297693 0.92 GBA1 (0.40) GBA1KMT2AMEN1USP2LMNA
SCHEMBL21753157 0.92 MPO (0.41) GBA1KMT2AMEN1USP2LMNA
SCHEMBL21753209 0.91 GBA1 (0.51) GBA1KMT2AMEN1USP2LMNA

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 claimed

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 4716/4885KMT2A 890/4885MEN1 4731/4885

“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.