SCHEMBL3597204

SCHEMBL3597204

O=C(NC1CCCNC1)c1cc2c(F)cccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.50
CCNA2 P20248 1/20 0.50
CDK1 P06493 1/20 0.49
CCNB1 P14635 1/20 0.49
PARP1 P09874 1/20 0.49
CHEK1 O14757 13/20 0.48
MLLT1 Q03111 1/20 0.47
CHRNA1 P02708 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA4 P43681 1/20 0.46
CDK2AP1 O14519 2/20 0.45
MELK Q14680 2/20 0.44
PLK4 O00444 1/20 0.44
GAK O14976 1/20 0.44
JAK2 O60674 1/20 0.44
ULK1 O75385 1/20 0.44
RPS6KA4 O75676 1/20 0.44
STK10 O94804 1/20 0.44
PRKD3 O94806 1/20 0.44

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
SCHEMBL3597200 1.00 CDK2 (0.50) CDK2CCNA2CDK1CCNB1PARP1
SCHEMBL3605258 0.93 PARP1 (0.47) PARP1MLLT1DYRK1A
SCHEMBL3605261 0.93 PARP1 (0.47) PARP1MLLT1DYRK1A
SCHEMBL3615341 0.93 PARP1 (0.47) PARP1MLLT1DYRK1A
Trifluoroacetic Acid SCHEMBL3612189 0.87 ALB (0.47) PARP1DYRK1A
Trifluoroacetic Acid SCHEMBL3606633 0.87 ALB (0.47) PARP1DYRK1A
SCHEMBL3614229 0.86 PARP1 (0.49) PARP1CHEK1CHRNA1CHRNB2CHRNB4
SCHEMBL3614233 0.86 PARP1 (0.49) PARP1CHEK1CHRNA1CHRNB2CHRNB4
SCHEMBL3600224 0.86 PARP1 (0.49) PARP1CHEK1CHRNA1CHRNB2CHRNB4
SCHEMBL3600227 0.86 PARP1 (0.49) PARP1CHEK1CHRNA1CHRNB2CHRNB4

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-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-02-11 US claimed
US-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-02-11 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-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF IDO2, IDO1, INMT CDK2 246/4885CCNA2 147/4885CDK1 867/4885

“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.