SCHEMBL8511133

SCHEMBL8511133

CN1CCC(Oc2ccc(N=C3NC(=O)C(=Cc4c[nH]c5ncccc45)S3)c(C(F)(F)F)c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.37
CDC7 O00311 3/20 0.37
DYRK3 O43781 4/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
RECQL P46063 1/20 0.36
DBF4 Q9UBU7 1/20 0.36
NTRK1 P04629 1/20 0.35
PIM1 P11309 1/20 0.35
DAPK1 P53355 1/20 0.35
KCNH2 Q12809 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
HASPIN Q8TF76 1/20 0.35
CNR1 P21554 1/20 0.35
JAK3 P52333 1/20 0.35
HPGD P15428 1/20 0.34
S1PR4 O95977 1/20 0.34
MAPK14 Q16539 1/20 0.34
DYRK1A Q13627 1/20 0.34

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
SCHEMBL8511130 1.00 SOS1 (0.37) SOS1CDC7DYRK3MAPTNPSR1
SCHEMBL247690 0.96 SOS1 (0.38) SOS1CDC7DYRK3MAPTNPSR1
SCHEMBL8512920 0.96 SOS1 (0.38) SOS1CDC7DYRK3MAPTNPSR1
SCHEMBL250167 0.90 DYRK3 (0.43) CDC7DYRK3MAPTNPSR1RECQL
SCHEMBL8513536 0.90 CDC7 (0.45) CDC7DYRK3MAPTNPSR1RECQL
SCHEMBL250166 0.90 DYRK3 (0.43) CDC7DYRK3MAPTNPSR1RECQL
SCHEMBL247678 0.90 CDC7 (0.45) CDC7DYRK3MAPTNPSR1RECQL
SCHEMBL8510193 0.86 DYRK3 (0.42) CDC7DYRK3MAPTNPSR1RECQL
SCHEMBL246304 0.86 DYRK3 (0.42) CDC7DYRK3MAPTNPSR1RECQL
SCHEMBL246096 0.86 CDC7 (0.44) CDC7DYRK3MAPTNPSR1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120135989-A1 AZAINDOLE DERIVATIVE CRYSTALGENOMICS, INC. (KR) 2012-05-31 US claimed
US-20120135989-A1 AZAINDOLE DERIVATIVE CRYSTALGENOMICS, INC. (KR) 2012-05-31 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-20120135989-A1 AZAINDOLE DERIVATIVE CDC7, CDCA2, CDC5L SOS1 1989/4885CDC7 1/4885DYRK3 1263/4885

“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.