SCHEMBL4604010

SCHEMBL4604010

CN(C)CCCC(N)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 8/20 0.50
NOS1 P29475 6/20 0.50
NOS3 P29474 5/20 0.50
ALDH1A1 P00352 3/20 0.36
CYP1A2 P05177 3/20 0.36
HRH4 Q9H3N8 2/20 0.36
HRH2 P25021 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP2C19 P33261 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 3/20 0.36
HSD17B10 Q99714 1/20 0.35
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35
CYP3A4 P08684 1/20 0.35
GSR P00390 1/20 0.34
GLA P06280 1/20 0.34
NFKB1 P19838 1/20 0.34
APEX1 P27695 1/20 0.34

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
SCHEMBL4604013 1.00 NOS2 (0.50) NOS2NOS1NOS3ALDH1A1CYP1A2
SCHEMBL4632522 0.94 NOS2 (0.44) NOS2NOS1NOS3ALDH1A1CYP1A2
SCHEMBL4632518 0.94 NOS2 (0.44) NOS2NOS1NOS3ALDH1A1CYP1A2
SCHEMBL3091594 0.86 NOS2 (0.40) NOS2NOS1NOS3TDP1CYP2C19
SCHEMBL4603896 0.86 NOS2 (0.40) NOS2NOS1NOS3TDP1CYP2C19
SCHEMBL4631200 0.83 NOS2 (0.42) NOS2NOS1NOS3CYP2C19MEN1
SCHEMBL1527394 0.83 NOS2 (0.65) NOS2NOS1NOS3CYP1A2CYP2C19
SCHEMBL25629375 0.83 NOS2 (0.65) NOS2NOS1NOS3CYP1A2CYP2C19
SCHEMBL1527395 0.83 NOS2 (0.65) NOS2NOS1NOS3CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL8127399 0.81 NOS2 (0.62) NOS2NOS1NOS3CYP1A2CYP2C19

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
EP-1924568-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2008-05-28 EP disclosed
EP-1915351-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2008-04-30 EP disclosed
US-20070032502-A1 Quinazoline derivatives useful in cancer treatment SCHERING CORPORATION 2007-02-08 US disclosed
WO-2007011623-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2007-01-25 WO disclosed
WO-2007011618-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2007-01-25 WO disclosed
US-20070015774-A1 Quinazoline derivatives useful in cancer treatment SCHERING CORPORATION 2007-01-18 US disclosed
US-4267102-A Bleomycin group antibiotics NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1981-05-12 US disclosed
US-RE30451-E ANTITUMOR AGENTS Zaidan Jojin Biseibutsu Kagaku Kenkyu Kai (JP) 1980-12-16 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-20070015774-A1 Quinazoline derivatives useful in cancer treatment TP53, TP53BP1, ACIN1 NOS2 2571/4885NOS1 2160/4885NOS3 1034/4885
US-20070032502-A1 Quinazoline derivatives useful in cancer treatment TP53, ACIN1, TP53BP1 NOS2 2281/4885NOS1 1779/4885NOS3 898/4885

“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.