SCHEMBL3599045

SCHEMBL3599045

Cc1ccc(C)c2c(C)c(C(=O)NC3CCCCNC3)[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PBK Q96KB5 10/20 0.42
MAPK1 P28482 1/20 0.42
OPRK1 P41145 1/20 0.42
PTGS2 P35354 1/20 0.40
CHEK1 O14757 3/20 0.39
CDK2 P24941 2/20 0.39
CCNA2 P20248 1/20 0.39
CDK2AP1 O14519 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
PARP1 P09874 1/20 0.39
BTK Q06187 1/20 0.38

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
SCHEMBL3605993 0.96 MAPK1 (0.46) PBKMAPK1OPRK1CHEK1CDK2
SCHEMBL3614136 0.96 MAPK1 (0.46) PBKMAPK1OPRK1CHEK1CDK2
SCHEMBL3605989 0.96 MAPK1 (0.46) PBKMAPK1OPRK1CHEK1CDK2
SCHEMBL3600247 0.92 PBK (0.42) PBKMAPK1OPRK1PARP1
SCHEMBL3607628 0.92 PBK (0.42) PBKMAPK1OPRK1PARP1
SCHEMBL3600250 0.92 PBK (0.42) PBKMAPK1OPRK1PARP1
SCHEMBL3611679 0.78 PBK (0.47) PBKPTGS2CHEK1BTK
SCHEMBL3611678 0.78 PBK (0.47) PBKPTGS2CHEK1BTK
SCHEMBL3612466 0.78 PBK (0.47) PBKPTGS2CHEK1BTK
SCHEMBL3597760 0.75 PBK (0.39) PBKBTK

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 PBK 2463/4885MAPK1 4292/4885OPRK1 609/4885

“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.