SCHEMBL3037601

SCHEMBL3037601

Clc1ccc2nc(-c3ccccc3)c(-c3ccccc3)n2n1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 14/20 0.68
AKT2 P31751 13/20 0.68
NTRK1 P04629 1/20 0.51
CSNK1E P49674 4/20 0.44
CHRM1 P11229 1/20 0.44
FLT1 P17948 1/20 0.44
CLK1 P49759 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
AKT3 Q9Y243 1/20 0.44
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL3112016 0.93 AKT1 (0.61) AKT1AKT2NTRK1CSNK1E
SCHEMBL3356986 0.86 AKT1 (0.55) AKT1AKT2NTRK1CSNK1ECHRM1
SCHEMBL3104269 0.83 AKT1 (0.52) AKT1AKT2NTRK1CSNK1E
SCHEMBL12985803 0.83 AKT1 (1.00) AKT1AKT2CHRM1FLT1CLK1
SCHEMBL10277362 0.82 AKT1 (0.50) AKT1AKT2NTRK1MEN1USP2
SCHEMBL3115930 0.82 NTRK1 (0.50) AKT1AKT2NTRK1HPGDSMN1; SMN2
SCHEMBL4911963 0.78 NTRK1 (0.56) AKT1AKT2NTRK1HPGDSMN1; SMN2
SCHEMBL10531829 0.78 AKT1 (0.47) AKT1AKT2NTRK1MEN1HPGD
SCHEMBL31704285 0.76 AKT1 (0.53) AKT1AKT2CSNK1ECHRM1FLT1
SCHEMBL4968666 0.75 NTRK1 (0.53) AKT1AKT2NTRK1CHRM1FLT1

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-20100216798-A1 FUSED HETEROCYCLES AS LCK INHIBITORS ASTELLAS PHARMA INC (JP) 2010-08-26 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-20100216798-A1 FUSED HETEROCYCLES AS LCK INHIBITORS LCK, ZAP70, FYN AKT1 919/4885AKT2 1196/4885NTRK1 445/4885

“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.