Sugi Predict

Sugi Predict / Compounds / SCHEMBL4170962

SCHEMBL4170962

SCHEMBL4170962

CC(C)(C)n1nc2c(c1N)CCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ BPTF Q12830 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ POLB P06746 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NUDT1 P36639 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ NOS3 P29474 1/20 0.32

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
SCHEMBL12335143 0.74 POLB (0.52) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL16154687 0.73 GAA (0.39) MEN1MAPK1KMT2APARP1HTR2A
SCHEMBL14752119 0.73 POLB (0.39) MEN1KMT2APARP1HTR2AHTR2C
SCHEMBL22402968 0.73 PARP1 (0.37) MAPK1PARP1HTR2AHTR2CHTR2B
SCHEMBL17045400 0.71 ACHE (0.38) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL5067152 0.69 POLB (0.57) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL17045567 0.69 ACHE (0.36) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL17045386 0.67 ACHE (0.34) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL19656947 0.67 POLB (0.45) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL12073002 0.67 POLB (0.40) ACHEMEN1MAPK1KMT2ABPTF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233950-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2009-09-17 — — US disclosed
US-20090076075-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2009-03-19 — — US disclosed
US-20080249154-A1 Preventive and/or Therapeutic Agent For Disease In Which Mitochondrial Benzodiazephine Receptor Participates ONO PHARMACEUTICAL CO., LTD. (JP) 2008-10-09 — — US disclosed
EP-1698335-A1 PREVENTIVE AND/OR THERAPEUTIC AGENT FOR DISEASE IN WHICH MITOCHONDRIAL BENZODIAZEPINE RECEPTOR PARTICIPATES ONO PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 — — EP 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 (3 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-20090076075-A1 QUINOLINE DERIVATIVES RECQL, NQO2, NRAS ACHE 2071/4885MEN1 514/4885MAPK1 602/4885
US-20080249154-A1 Preventive and/or Therapeutic Agent For Disease In Which Mitochondrial Benzodiazephine Receptor Participates MTNR1A, GSR, NLN ACHE 2215/4885MEN1 2666/4885MAPK1 3008/4885
US-20090233950-A1 QUINAZOLINE DERIVATIVES NQO2, CCNI, F12 ACHE 2229/4885MEN1 581/4885MAPK1 500/4885

“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.