SCHEMBL2932335

SCHEMBL2932335

c1cc(-c2nn[nH]n2)ccn1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADH5 P11766 2/20 0.71
RPA1 P27694 1/20 0.61
ATM Q13315 1/20 0.61
XDH P47989 5/20 0.60
CYP2A6 P11509 1/20 0.60
TP53 P04637 3/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HPGDS O60760 1/20 0.53
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GP6 Q9HCN6 1/20 0.50
CDC7 O00311 1/20 0.50
DBF4 Q9UBU7 1/20 0.50

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
SCHEMBL9984638 0.85 ADH5 (0.95) ADH5RPA1ATMXDHCYP2A6
SCHEMBL957255 0.79 CDC7 (0.49) ADH5RPA1ATMXDHCYP2A6
SCHEMBL5017 0.79 HPGDS (0.78) ADH5RPA1ATMXDHCYP2A6
SCHEMBL4983079 0.77 HPGDS (0.75) ADH5RPA1ATMXDHCYP2A6
SCHEMBL5377534 0.77 MKNK1 (0.60) ADH5RPA1XDHCYP2A6ALDH1A1
SCHEMBL1777649 0.76 ADH5 (0.75) ADH5RPA1ATMXDHTP53
SCHEMBL2645809 0.76 ADH5 (0.75) ADH5RPA1ATMXDHTP53
SCHEMBL1248039 0.76 ADH5 (0.75) ADH5RPA1ATMXDHTP53
SCHEMBL8295416 0.76 RPA1 (1.00) ADH5RPA1ATMXDHTP53
SCHEMBL17208852 0.76 ADH5 (0.75) ADH5RPA1ATMXDHTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118105953-A Flexible porous adsorption material with magnetic induction heating function and preparation method and application thereof 南京工业大学 2024-05-31 CN disclosed
US-8828729-B1 Methods and apparatus for the detection of taggants by surface enhanced raman scattering CABOT CORPORATION (US) 2014-09-09 US disclosed
US-8828729-B1 Methods and apparatus for the detection of taggants by surface enhanced raman scattering CABOT CORPORATION (US) 2014-09-09 US disclosed
EP-2134704-B1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2010-09-22 EP disclosed
US-20100120807-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2010-05-13 US disclosed
US-20100120807-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2010-05-13 US disclosed
US-20100120807-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2010-05-13 US disclosed
CN-101627029-A Compounds and compositions as modulators of GPR119 activity IRM LLC 2010-01-13 CN disclosed
EP-2134704-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-12-23 EP disclosed
WO-2008109702-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2008-09-12 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-20100120807-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR65, GPR39 ADH5 2509/4885RPA1 4343/4885ATM 4271/4885

“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.