SCHEMBL5238079

SCHEMBL5238079

CC1CNCCN1c1cccc([N+](=O)[O-])c1CN

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.38
HTR2B P41595 9/20 0.38
HTR2A P28223 6/20 0.38
KCNH2 Q12809 2/20 0.38
ACHE P22303 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
LATS1 O95835 1/20 0.33

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
SCHEMBL8587625 0.84 HTT (0.44) HTR2CHTR2BHTR2AKCNH2ACHE
SCHEMBL6202631 0.80 MAPT (0.39) HTR2CHTR2BHTR2AKCNH2ACHE
Tert-Butyl Formate SCHEMBL27791266 0.74 HTT (0.36) HTR2CHTR2BHTR2AKCNH2ACHE
SCHEMBL15770549 0.72 LATS1 (0.49) HTR2CHTR2BHTR2AKCNH2HTT
SCHEMBL15210112 0.72 KMT2A (0.44) HTR2CHTR2BHTR2AACHEHTT
Ammonia Solution, Strong SCHEMBL27277144 0.71 CYP1A2 (0.51) HTR2CHTR2BHTR2AKMT2AMAPT
SCHEMBL16580890 0.70 ALDH1A1 (0.49) KCNH2HTTKMT2AMAPT
SCHEMBL20694909 0.69 HTR1A (0.45) ACHEHTTKMT2AMAPT
SCHEMBL14442453 0.69 HTR2C (0.46) HTR2CHTR2BHTR2ALATS1
SCHEMBL14442452 0.69 HTR2C (0.46) HTR2CHTR2BHTR2ALATS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1507776-B1 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS AMGEN INC (US) 2007-02-28 EP disclosed
US-7119111-B2 2-oxo-1,3,4-trihydroquinazolinyl derivatives and methods of use AMGEN, INC. (US) 2006-10-10 US disclosed
EP-1507776-A1 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS Amgen Inc. (US) 2005-02-23 EP disclosed
US-20030229068-A1 2-oxo-1,3,4-trihydroquinazolinyl derivatives and methods of use AMGEN INC. 2003-12-11 US disclosed
WO-2003101985-A1 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS AMGEN INC. (US) 2003-12-11 WO 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-20030229068-A1 2-oxo-1,3,4-trihydroquinazolinyl derivatives and methods of use CASP3, BAX, BAD HTR2C 1851/4885HTR2B 2686/4885HTR2A 2683/4885

“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.