SCHEMBL6530422

SCHEMBL6530422

CN(Cc1nc(-c2ccccc2)nc2[nH]ccc12)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.47
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45
TAAR1 Q96RJ0 2/20 0.43
PDE5A O76074 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
GLA P06280 2/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
CSF1R P07333 2/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 2/20 0.36
TSHR P16473 1/20 0.36
JAK2 O60674 2/20 0.35
IKBKB O14920 1/20 0.35
CHUK O15111 1/20 0.35
DAPK3 O43293 1/20 0.35

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
SCHEMBL6529073 0.74 ADORA1 (0.45) ADORA1ADORA3ADORA2AADORA2BTAAR1
SCHEMBL13655439 0.72 KMT2A (0.63) ADORA1ADORA3ADORA2AADORA2BKMT2A
SCHEMBL21287076 0.70 KMT2A (0.49) TAAR1PDE5AKMT2AMEN1
SCHEMBL31343145 0.70 KMT2A (0.49) TAAR1PDE5AKMT2AMEN1
SCHEMBL8357293 0.70 HTT (0.48) ADORA1PDE5ACSF1R
SCHEMBL7749921 0.69 ADORA1 (0.55) ADORA1ADORA3ADORA2AADORA2BKMT2A
SCHEMBL2231632 0.69 ADORA1 (0.51) ADORA1ADORA3ADORA2AADORA2BPDE5A
SCHEMBL14274543 0.69 ADORA1 (0.51) ADORA1ADORA3ADORA2AADORA2BKMT2A
SCHEMBL22587420 0.67 ACP1 (0.64) ADORA1ADORA3ADORA2AADORA2BKMT2A
SCHEMBL22587412 0.66 ABCG2 (0.62) ADORA1ADORA3ADORA2AADORA2BPDE5A

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.