SCHEMBL5886706

SCHEMBL5886706

Cc1nc(N2CCCC2)nc2c1ccc(=O)n2-c1ccc(C(=O)NCC[N+]2([O-])CCOCC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.35
MTOR P42345 3/20 0.35
PIK3CG P48736 3/20 0.35
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK8 P45983 2/20 0.35
CHRNA10 Q9GZZ6 1/20 0.35
CHRNA9 Q9UGM1 1/20 0.35
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
GAA P10253 1/20 0.33
CSNK1D P48730 1/20 0.33
HTR3A P46098 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
SCHEMBL5886739 0.93 USP25 (0.34) PIK3CAMTORPIK3CGMEN1CYP3A4
SCHEMBL5887040 0.92 HTT (0.37) PIK3CAMTORPIK3CGMEN1CYP3A4
SCHEMBL5888748 0.88 HDAC6 (0.38) MAPK8MAPTALDH1A1LMNAHTT
SCHEMBL5888902 0.83 KMT2A (0.37) MEN1TSHRKMT2AMAPK8MAPT
SCHEMBL5886981 0.81 L3MBTL1 (0.44) MAPTRAB9AL3MBTL1ALDH1A1LMNA
SCHEMBL5886876 0.80 RAB9A (0.45) MEN1TSHRKMT2AMAPTRAB9A
SCHEMBL5886868 0.80 CNR2 (0.41) MEN1KMT2AMAPTRAB9AL3MBTL1
SCHEMBL5886779 0.78 MAPT (0.44) MAPTRAB9AALDH1A1LMNAHTT
SCHEMBL5886952 0.78 HPGD (0.58) MEN1KMT2AMAPTRAB9AL3MBTL1
SCHEMBL5886823 0.78 SMYD3 (0.48) TSHRKMT2AMAPK8MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7019002-B2 Substituted on 8th position with benzoic acid, ester or amide groups; anticancer agents PHARMACIA & UPJOHN, S.P.A. (IT) 2006-03-28 US claimed
US-20040009993-A1 Pyridopyrimidinones derivatives as telomerase inhibitors PHARMACIA ITALIA S.P.A. 2004-01-15 US claimed
US-7019002-B2 Substituted on 8th position with benzoic acid, ester or amide groups; anticancer agents PHARMACIA & UPJOHN, S.P.A. (IT) 2006-03-28 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 (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-20040009993-A1 Pyridopyrimidinones derivatives as telomerase inhibitors TERT, TERF2, TERF2IP PIK3CA 314/4885MTOR 1491/4885PIK3CG 611/4885

“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.