SCHEMBL20909640

SCHEMBL20909640

CC1Nc2ncccc2C1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.51
TNKS2 Q9H2K2 10/20 0.49
CYP1A2 P05177 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP2 O95551 1/20 0.39
NSD2 O96028 1/20 0.39
ABL1 P00519 1/20 0.39
PLCG1 P19174 1/20 0.39
CES1 P23141 1/20 0.39
PAX8 Q06710 1/20 0.39
RIN1 Q13671 1/20 0.39
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
BLM P54132 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 3/20 0.39
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL14597252 0.73 TNKS2 (0.44) GSK3BTNKS2CYP1A2SMN1; SMN2GAA
SCHEMBL14765037 0.71 GSK3B (0.76) GSK3BTNKS2CYP1A2SMN1; SMN2GAA
SCHEMBL19117741 0.70 GSK3B (0.47) GSK3BTNKS2CYP1A2SMN1; SMN2GAA
SCHEMBL29361422 0.70 GSK3B (0.47) GSK3BTNKS2CYP1A2SMN1; SMN2GAA
SCHEMBL13847518 0.70 CREBBP (0.55) GSK3BTNKS2ALDH1A1
SCHEMBL1252548 0.69 GSK3B (0.54) GSK3BTNKS2CYP1A2SMN1; SMN2
SCHEMBL1252551 0.69 GSK3B (0.54) GSK3BTNKS2CYP1A2SMN1; SMN2
SCHEMBL15823777 0.69 GSK3B (0.46) GSK3BTNKS2ALDH1A1
SCHEMBL8293271 0.68 TSHR (0.48) GSK3BTNKS2CYP1A2SMN1; SMN2KMT2A
SCHEMBL3422239 0.68 CYP1A2 (0.47) GSK3BTNKS2CYP1A2SMN1; SMN2GAA

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-20190111044-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS Prosetta Antiviral, Inc. 2019-04-18 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-20190111044-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS MAVS, EIF2AK2, POLRMT GSK3B 4151/4885TNKS2 136/4885CYP1A2 1713/4885

“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.