SCHEMBL21541979

SCHEMBL21541979

Cc1ccc(Nc2nc(NC(C)C)nc3ccsc23)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 1/20 0.43
RXFP1 Q9HBX9 1/20 0.41
LRRK2 Q5S007 1/20 0.41
IRAK4 Q9NWZ3 4/20 0.41
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTR6 P50406 1/20 0.38
LMNA P02545 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
ADORA2B P29275 4/20 0.37
ADORA2A P29274 3/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
PDE4B Q07343 1/20 0.36
PDE7A Q13946 1/20 0.36
PDE7B Q9NP56 1/20 0.36

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
SCHEMBL30092882 1.00 ACVR1 (0.43) ACVR1RXFP1LRRK2IRAK4NPC1
SCHEMBL21567266 0.79 RXFP1 (0.42) RXFP1IRAK4NPC1RAB9ASMN1; SMN2
SCHEMBL30092862 0.75 ACVR1 (0.47) ACVR1LRRK2IRAK4LMNAADORA2B
SCHEMBL21567284 0.75 ACVR1 (0.47) ACVR1LRRK2IRAK4LMNAADORA2B
SCHEMBL21542003 0.75 KDR (0.54) RXFP1IRAK4NPC1RAB9ASMN1; SMN2
SCHEMBL9431368 0.73 SLC2A1 (0.52) LRRK2NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL9536391 0.72 SLC2A1 (0.46) RXFP1PDE4BPDE7A
Hydrochloric Acid SCHEMBL9431893 0.71 SLC2A1 (0.48) RXFP1NPC1RAB9ASMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL10441160 0.71 SLC2A1 (0.48) RXFP1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL9536367 0.70 GAA (0.45) PDE4BPDE7A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348460-A1 ANTI-WOLBACHIA PYRIDO[2,3-d]PYRIMIDINECOMPOUNDS THE UNIVERSITY OF LIVERPOOL (GB) 2023-11-02 US disclosed
US-11518760-B2 Anti-Wolbachia pyrido[2,3-d]pyrimidine compounds LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2022-12-06 US disclosed
US-20190345157-A1 COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-11-14 US disclosed
US-20190345157-A1 COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-11-14 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 (3 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-20230348460-A1 ANTI-WOLBACHIA PYRIDO[2,3-d]PYRIMIDINECOMPOUNDS PWWP2B, WARS1, PNPO ACVR1 4874/4885RXFP1 4557/4885LRRK2 847/4885
US-20190345157-A1 COMPOUNDS ABCB11, LTC4S, AQP1 ACVR1 4780/4885RXFP1 2902/4885LRRK2 1946/4885
US-11518760-B2 Anti-Wolbachia pyrido[2,3-d]pyrimidine compounds P2RX5, PNPO, P2RX3 ACVR1 4883/4885RXFP1 4453/4885LRRK2 605/4885

“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.