SCHEMBL4116604

SCHEMBL4116604

CCCCNC(=S)N1CCN(c2nc(N)nc3ccc(-c4ccc(F)cc4)nc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
MEN1 O00255 4/20 0.49
NR2F2 P24468 1/20 0.49
MAPT P10636 4/20 0.46
LMNA P02545 1/20 0.46
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.41
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
HRH4 Q9H3N8 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
P2RY12 Q9H244 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4110345 0.97 KMT2A (0.48) KMT2AMEN1NR2F2MAPTLMNA
SCHEMBL4116902 0.96 KMT2A (0.47) KMT2AMEN1NR2F2MAPTLMNA
SCHEMBL4100306 0.96 KMT2A (0.47) KMT2AMEN1NR2F2MAPTLMNA
SCHEMBL4106964 0.95 KMT2A (0.47) KMT2AMEN1NR2F2MAPTLMNA
SCHEMBL4114365 0.91 PDE4A (0.45) KMT2AMEN1NR2F2MAPTLMNA
SCHEMBL4108274 0.89 PDE4A (0.50) KMT2AMEN1PDE4APDE4BPDE4C
SCHEMBL4106454 0.89 KMT2A (0.48) KMT2AMEN1NR2F2MAPTLMNA
SCHEMBL4108039 0.87 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL4106755 0.86 ALDH1A1 (0.44) KMT2AMEN1NR2F2PDE4APDE4B
SCHEMBL4107775 0.86 KMT2A (0.47) KMT2AMEN1NR2F2MAPTLMNA

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 KMT2A 4610/4885MEN1 3783/4885NR2F2 3061/4885
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP KMT2A 4610/4885MEN1 3783/4885NR2F2 3061/4885
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP KMT2A 4610/4885MEN1 3783/4885NR2F2 3061/4885

“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.