SCHEMBL6529073

SCHEMBL6529073

c1ccc(NCc2nc(-c3ccccc3)nc3[nH]ccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.45
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45
KMT2A Q03164 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 3/20 0.44
ALDH1A1 P00352 2/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
TSHR P16473 1/20 0.44
POLB P06746 3/20 0.42
GLA P06280 1/20 0.42
JAK2 O60674 2/20 0.41
TAAR1 Q96RJ0 2/20 0.41
IKBKB O14920 1/20 0.41
CHUK O15111 1/20 0.41
DAPK3 O43293 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41

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
SCHEMBL6531660 0.83 ADORA2A (0.48) ADORA1ADORA3ADORA2AADORA2BKMT2A
SCHEMBL7749921 0.75 ADORA1 (0.55) ADORA1ADORA3ADORA2AADORA2BKMT2A
SCHEMBL22587412 0.75 ABCG2 (0.62) ADORA1ADORA3ADORA2AADORA2BKMT2A
SCHEMBL6530422 0.74 ADORA1 (0.47) ADORA1ADORA3ADORA2AADORA2BKMT2A
SCHEMBL2231632 0.72 ADORA1 (0.51) ADORA1ADORA3ADORA2AADORA2BKMT2A
SCHEMBL14274543 0.72 ADORA1 (0.51) ADORA1ADORA3ADORA2AADORA2BKMT2A
SCHEMBL13655439 0.72 KMT2A (0.63) ADORA1ADORA3ADORA2AADORA2BKMT2A
SCHEMBL3113348 0.68 ABCG2 (0.63) ADORA3KMT2AMEN1ALDH1A1TSHR
SCHEMBL12426105 0.68 TGFBR1 (0.66) ADORA1ADORA3ADORA2AADORA2BKMT2A
SCHEMBL22587420 0.67 ACP1 (0.64) ADORA1ADORA3ADORA2AADORA2BKMT2A

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-20050043332-A1 Pyrrolo[2,3d]pyrimidine compositions and their use OSI PHARMACEUTICALS, INC. 2005-02-24 US 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-20050043332-A1 Pyrrolo[2,3d]pyrimidine compositions and their use TYMP, UMPS, ADORA3 ADORA1 38/4885ADORA3 3/4885ADORA2A 7/4885

“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.