SCHEMBL4419561

SCHEMBL4419561

CCCCCc1ccc2nc(N)nc(N3CCNCC3C(=O)Nc3cccc(C)c3)c2n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 1/20 0.38
TLR8 Q9NR97 5/20 0.37
TLR7 Q9NYK1 5/20 0.37
TSHR P16473 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
GAA P10253 2/20 0.37
ALDH1A1 P00352 4/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
LIMK2 P53671 2/20 0.35
USP2 O75604 1/20 0.35
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL4281171 0.92 CFTR (0.36) TLR8TLR7MAPT
SCHEMBL4417863 0.89 LIMK2 (0.41) TSHRNPSR1GAAALDH1A1MAPT
SCHEMBL3922088 0.85 ALDH1A1 (0.40) PI4KBTSHRNPSR1GAAALDH1A1
SCHEMBL4116800 0.84 PI4KB (0.40) PI4KBTSHRNPSR1GAAALDH1A1
SCHEMBL4708335 0.83 MAPT (0.44) PI4KBTSHRNPSR1GAAALDH1A1
SCHEMBL4552273 0.82 CFTR (0.35) MAPT
SCHEMBL4118504 0.82 PI4KB (0.39) PI4KBTSHRNPSR1GAAALDH1A1
SCHEMBL4108372 0.81 ALDH1A1 (0.39) PI4KBTSHRNPSR1GAAALDH1A1
SCHEMBL4108734 0.81 PI4KB (0.38) PI4KBTSHRNPSR1GAAALDH1A1
SCHEMBL4121021 0.81 ALDH1A1 (0.38) PI4KBTSHRNPSR1GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-10-22 US disclosed
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-02-05 US disclosed
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2008-01-03 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-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP PI4KB 2347/4885TLR8 1505/4885TLR7 1675/4885
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP PI4KB 2347/4885TLR8 1505/4885TLR7 1675/4885
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP PI4KB 2347/4885TLR8 1505/4885TLR7 1675/4885

“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.