SCHEMBL5997162

SCHEMBL5997162

O=[N+]([O-])c1cnc(Nc2ccc(N3CCN(CCO)CC3)nc2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ NPBWR1 P48145 1/20 0.48
▸ MCHR1 Q99705 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ GAA P10253 1/20 0.47
▸ SRC P12931 3/20 0.47
▸ LMNA P02545 2/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ ATM Q13315 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ PANK3 Q9H999 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ WNT3A P56704 1/20 0.44

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
SCHEMBL5998192 0.83 SRC (0.47) GAASRCMAPK1WNT3AJAK3
SCHEMBL2492560 0.82 SRC (0.47) ALDH1A1SRCLMNAPKMSYK
SCHEMBL5997215 0.77 SRC (0.54) SRCCYP2C9JAK3HRH3SYK
SCHEMBL5998031 0.76 LCK (0.62) L3MBTL1GAASRCCYP2C9WNT3A
SCHEMBL27717343 0.75 RAB9A (0.60) MAPTL3MBTL1SRCLMNAMAPK1
SCHEMBL12190203 0.74 SRC (0.48) MAPTALDH1A1L3MBTL1GAASRC
SCHEMBL27892259 0.72 AURKA (0.55) MAPTSRC
SCHEMBL19708759 0.72 SRC (0.44) GAASRCWNT3AJAK3SYK
SCHEMBL19708754 0.72 SRC (0.44) MAPTGAASRCWNT3AJAK3
SCHEMBL2949686 0.71 BRD4 (0.63) MAPTLMNA

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-20060247250-A1 Pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2006-11-02 — — 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-20060247250-A1 Pyrimidine inhibitors of kinases DTYMK, SRC, DCK MAPT 3758/4885ALDH1A1 3321/4885NPBWR1 2232/4885

“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.

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