SCHEMBL2495155

SCHEMBL2495155

O=[N+]([O-])c1cnc(Nc2ccc(CCCN3CCCC3)cc2)nc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 4/20 0.54
HRH3 Q9Y5N1 2/20 0.53
SIGMAR1 Q99720 4/20 0.50
KCNH2 Q12809 3/20 0.46
CDK1 P06493 2/20 0.44
KDR P35968 2/20 0.44
IGF1R P08069 2/20 0.42
LTA4H P09960 1/20 0.42

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
SCHEMBL5997208 0.87 SIGMAR1 (0.52) KCNJ1HRH3SIGMAR1
SCHEMBL2498540 0.82 IGF1R (0.48) HRH3SIGMAR1CDK1KDRIGF1R
SCHEMBL2499009 0.81 LTA4H (0.62) HRH3LTA4H
SCHEMBL1562127 0.79 KCNJ1 (0.82) KCNJ1HRH3SIGMAR1KCNH2LTA4H
SCHEMBL2500700 0.79 KDM4E (0.65) SIGMAR1
SCHEMBL5995769 0.76 SIGMAR1 (0.53) SIGMAR1
SCHEMBL4993786 0.74 HRH3 (0.77) KCNJ1HRH3SIGMAR1KCNH2
SCHEMBL12190203 0.74 SRC (0.48)
SCHEMBL5994744 0.73 KDR (0.46) HRH3CDK1KDRIGF1RLTA4H
SCHEMBL5997902 0.73 LCK (0.61) CDK1KDR

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 KCNJ1 2512/4885HRH3 2085/4885SIGMAR1 2661/4885
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS KDR, FLT4, FLT1 KCNJ1 4159/4885HRH3 2012/4885SIGMAR1 2139/4885

“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.