SCHEMBL5436613

SCHEMBL5436613

CN1CCN(c2c(Br)c(CS(=O)(=O)c3ccccc3)nc3[nH]c4ccccc4c23)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 8/20 0.38
POLB P06746 1/20 0.37
HTR3A P46098 2/20 0.36
HTR6 P50406 4/20 0.36
DRD2 P14416 1/20 0.36
HTR2C P28335 1/20 0.36
HTR7 P34969 1/20 0.36
HTR2B P41595 1/20 0.36
HRH4 Q9H3N8 1/20 0.34
PARP1 P09874 1/20 0.34
PRKCB P05771 1/20 0.34
PRKCA P17252 1/20 0.34
PRKCH P24723 1/20 0.34
PRKCE Q02156 1/20 0.34
PRKCQ Q04759 1/20 0.34
PRKCD Q05655 1/20 0.34
PDGFRB P09619 1/20 0.34
FGFR1 P11362 1/20 0.34
FLT1 P17948 1/20 0.34
KDR P35968 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
SCHEMBL5443616 0.89 ALDH1A1 (0.43) POLB
SCHEMBL5454350 0.78 POLB (0.41) ALKPOLB
SCHEMBL5437201 0.77 ALDH1A1 (0.35) ALKPOLB
SCHEMBL4961036 0.75 ALK (0.42) ALK
SCHEMBL5437319 0.72 ALDH1A1 (0.39) POLB
SCHEMBL14627304 0.72 ALK (0.43) ALK
SCHEMBL5447476 0.70 POLB (0.43) POLB
SCHEMBL5440852 0.69 POLB (0.42) POLB
SCHEMBL5323201 0.69 HRH4 (0.56) HTR3AHTR6DRD2HTR7HRH4
SCHEMBL14594930 0.69 ALK (0.58) ALK

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-20070004684-A1 Alpha-Carbolines as CDK-1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-04 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-20070004684-A1 Alpha-Carbolines as CDK-1 inhibitors CDKL1, CDK1, CCNA1 ALK 3341/4885POLB 323/4885HTR3A 3163/4885

“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.