SCHEMBL2492560

SCHEMBL2492560

O=C(c1ccc(Nc2ncc([N+](=O)[O-])cn2)cn1)N1CCN(CCO)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 3/20 0.47
▸ DYRK2 Q92630 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ POLB P06746 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ FLT3 P36888 1/20 0.40
▸ SYK P43405 3/20 0.39
▸ PRKAA2 P54646 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ PRKAB2 O43741 1/20 0.38
▸ PRKAG1 P54619 1/20 0.38
▸ PRKAA1 Q13131 1/20 0.38
▸ PRKAG3 Q9UGI9 1/20 0.38
▸ PRKAG2 Q9UGJ0 1/20 0.38
▸ PRKAB1 Q9Y478 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38

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
SCHEMBL2497163 0.85 SRC (0.50) SRCDYRK2ALDH1A1POLBDRD3
SCHEMBL5997162 0.82 MAPT (0.48) SRCALDH1A1SYKLMNAPKM
SCHEMBL12190203 0.80 SRC (0.48) SRCALDH1A1LMNA
SCHEMBL5997660 0.78 LCK (0.55) SRCDYRK2POLBFLT3PRKAA2
SCHEMBL5997282 0.75 SRC (0.59) SRCDYRK2ALDH1A1SYKPRKAA2
SCHEMBL2500626 0.75 P4HTM (0.56) LMNAPRKAA1
SCHEMBL5995313 0.74 L3MBTL1 (0.54) SRCALDH1A1AXL
SCHEMBL5996482 0.73 SRC (0.51) SRCDRD3PRKAA2PRKAB2PRKAG1
SCHEMBL5439128 0.73 SRC (0.41) SRCDYRK2DRD3FLT3SYK
SCHEMBL5439132 0.73 SRC (0.41) SRCDYRK2DRD3FLT3SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030487-B2 2-amino—5-substituted pyrimidine inhibitors TARGEGEN, INC. (US) 2011-10-04 — — US disclosed
US-8030487-B2 2-amino—5-substituted pyrimidine inhibitors TARGEGEN, INC. (US) 2011-10-04 — — US disclosed
US-8030487-B2 2-amino—5-substituted pyrimidine inhibitors TARGEGEN, INC. (US) 2011-10-04 — — US disclosed
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-31 — — US disclosed
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-31 — — US disclosed
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-31 — — US disclosed
WO-2008008234-A1 2-AMINO-5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-17 — — WO disclosed
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 (2 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 SRC 2/4885DYRK2 189/4885ALDH1A1 3321/4885
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS KDR, FLT4, FLT1 SRC 5/4885DYRK2 165/4885ALDH1A1 3119/4885

“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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