SCHEMBL679622

SCHEMBL679622

CCOC(=O)C1=CCC(c2ccnn2C)=N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
HPGD P15428 3/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.37
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PIK3CA P42336 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 2/20 0.34
PDE4A P27815 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 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
SCHEMBL12702553 0.74 ALDH1A1 (0.38) ALDH1A1HPGDKDM4ELMNACYP1A2
SCHEMBL343502 0.70 GAA (0.59) ALDH1A1HPGDKDM4ELMNACYP1A2
SCHEMBL10132606 0.70 CYP1A2 (0.44) ALDH1A1HPGDKDM4ELMNACYP1A2
SCHEMBL13743229 0.70 CYP1A2 (0.41) ALDH1A1KDM4ELMNACYP1A2CYP3A4
Hydrochloric Acid SCHEMBL28348022 0.68 GAA (0.58) ALDH1A1HPGDKDM4ELMNACYP1A2
SCHEMBL678155 0.68 CYP1A2 (0.40) ALDH1A1KDM4ELMNACYP1A2CYP3A4
SCHEMBL1539573 0.68 CYP11B1 (0.43) ALDH1A1HPGDKDM4ELMNACYP1A2
SCHEMBL1539569 0.68 CDC7 (0.60) ALDH1A1HPGDKDM4ELMNACYP1A2
SCHEMBL676630 0.68 CYP1A2 (0.44) ALDH1A1HPGDKDM4ECYP1A2GAA
SCHEMBL18039405 0.68 PDE4A (0.42) ALDH1A1HPGDKDM4EGAAPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110160255-A1 INHIBITORS OF AKT ACTIVITY GLAXOSMITHKLINE LLC 2011-06-30 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-20110160255-A1 INHIBITORS OF AKT ACTIVITY AKT2, AKT1, PIK3CA ALDH1A1 4692/4885HPGD 2763/4885KDM4E 2097/4885

“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.