SCHEMBL2498540

SCHEMBL2498540

Nc1cnc(Nc2ccc(CCCN3CCCC3)cc2)nc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.48
CDK1 P06493 3/20 0.47
KDR P35968 3/20 0.47
HRH3 Q9Y5N1 5/20 0.47
HRH4 Q9H3N8 1/20 0.47
LTA4H P09960 1/20 0.47
SIGMAR1 Q99720 3/20 0.45
HRH1 P35367 1/20 0.43
L3MBTL3 Q96JM7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL5998009 0.85 SLC6A3 (0.50) CDK1KDRHRH3HRH4LTA4H
SCHEMBL2492457 0.82 SRC (0.49) HRH3
SCHEMBL2495155 0.82 KCNJ1 (0.54) IGF1RCDK1KDRHRH3LTA4H
SCHEMBL2498482 0.79 BACE1 (0.63) LTA4H
SCHEMBL5994744 0.78 KDR (0.46) IGF1RCDK1KDRHRH3LTA4H
SCHEMBL5444036 0.76 SRC (0.41) IGF1RCDK1KDR
SCHEMBL14538314 0.75 KDR (0.42) IGF1RCDK1KDRHRH3LTA4H
SCHEMBL5997902 0.75 LCK (0.61) CDK1KDR
Hydrochloric Acid SCHEMBL6965669 0.75 SIGMAR1 (0.68) HRH3LTA4HSIGMAR1HRH1L3MBTL3
SCHEMBL18917604 0.74 LTA4H (0.75) HRH3LTA4HSIGMAR1HRH1L3MBTL3

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 IGF1R 1387/4885CDK1 43/4885KDR 348/4885
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS KDR, FLT4, FLT1 IGF1R 348/4885CDK1 190/4885KDR 1/4885

“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.