SCHEMBL20508792

SCHEMBL20508792

Nc1nc(Cc2ccccn2)nc2[nH]ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
HRH3 Q9Y5N1 2/20 0.39
HRH4 Q9H3N8 1/20 0.39
PRKCI P41743 2/20 0.38
PNP P00491 1/20 0.38
ASIC3 Q9UHC3 1/20 0.38
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
TSHR P16473 1/20 0.36
HRH1 P35367 1/20 0.36
AXL P30530 1/20 0.36
NUDT1 P36639 1/20 0.36
LMNA P02545 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
PRMT1 Q99873 1/20 0.35
DYRK1A Q13627 2/20 0.35
JAK2 O60674 2/20 0.34
IKBKB O14920 1/20 0.34

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
SCHEMBL30297963 1.00 L3MBTL1 (0.41) L3MBTL1HRH3HRH4PRKCIPNP
Hydrochloric Acid SCHEMBL30297996 0.99 L3MBTL1 (0.43) L3MBTL1HRH3HRH4PRKCIPNP
SCHEMBL28110985 0.80 CYP1A2 (0.48) L3MBTL1HRH3HRH4TAAR1DYRK1A
SCHEMBL30297977 0.77 JAK2 (0.39) NUDT1DYRK1AJAK2JAK3
SCHEMBL30297934 0.75 HTR6 (0.40) HRH3HRH4PNPDYRK1AJAK2
SCHEMBL30297972 0.75 ADORA2A (0.45) L3MBTL1ALDH1A1DYRK1A
Hydrochloric Acid SCHEMBL30297929 0.74 HTR6 (0.39) HRH3HRH4PNPDYRK1AJAK2
SCHEMBL20508793 0.74 HRH4 (0.46) HRH3HRH4PNPNUDT1JAK2
SCHEMBL30297953 0.74 CYP2C19 (0.36) HRH4PRKCITSHRAXLNUDT1
Hydrochloric Acid SCHEMBL30298035 0.74 ADORA2A (0.44) L3MBTL1ALDH1A1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180273538-A1 PYRROLO[2,3-d]PYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2018-09-27 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 (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-20180273538-A1 PYRROLO[2,3-d]PYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DPYD, TYMS, TYMP L3MBTL1 3309/4885HRH3 3329/4885HRH4 2713/4885

“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.