SCHEMBL5553898

SCHEMBL5553898

N#Cc1cc2c(Br)cncc2s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.35
CDK8 P49336 2/20 0.32
ICAM1 P05362 1/20 0.32
SELE P16581 1/20 0.32
VCAM1 P19320 1/20 0.32
CCNC P24863 1/20 0.32
DAPK3 O43293 2/20 0.30
PIM1 P11309 2/20 0.30
PRKACA P17612 2/20 0.30
FLT1 P17948 2/20 0.30
KDR P35968 2/20 0.30
MAPK8 P45983 2/20 0.30
GSK3A P49840 2/20 0.30
GSK3B P49841 2/20 0.30
RPS6KA3 P51812 2/20 0.30
LIMK1 P53667 2/20 0.30
CDK5 Q00535 2/20 0.30
ROCK1 Q13464 2/20 0.30
PLK4 O00444 1/20 0.30
CHEK1 O14757 1/20 0.30

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
SCHEMBL20319767 0.72 ALDH1A1 (0.32) CDK8ICAM1SELEVCAM1CCNC
SCHEMBL30154117 0.68 CYP2A6 (0.36) DAPK3PIM1PRKACAFLT1KDR
SCHEMBL5555026 0.68 ICAM1 (0.50) PTPN2CDK8ICAM1SELEVCAM1
SCHEMBL30099336 0.68 ICAM1 (0.33) CDK8ICAM1SELEVCAM1DAPK3
SCHEMBL18105431 0.68 ICAM1 (0.35) CDK8ICAM1SELEVCAM1DAPK3
SCHEMBL30154130 0.67 SLC22A12 (0.30)
SCHEMBL7054296 0.67 CDK8 (0.66) CDK8ICAM1SELEVCAM1CCNC
SCHEMBL5555035 0.67 MAP3K8 (0.60) CDK8ICAM1SELEVCAM1CCNC
SCHEMBL19439609 0.66 PNMT (0.38) PTPN2
SCHEMBL5550255 0.66 MAP3K8 (0.63) CDK8ICAM1SELEVCAM1CCNC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4373825-A1 NITRILE SUMO INHIBITORS AND USES THEREOF Suvalent Therapeutics, Inc. (US) 2024-05-29 EP disclosed
WO-2023004376-A1 NITRILE SUMO INHIBITORS AND USES THEREOF Suvalent Therapeutics, Inc. (US) 2023-01-26 WO disclosed
EP-1753428-A2 KINASE INHIBITORS AS THERAPEUTIC AGENTS Abbott Laboratories (US) 2007-02-21 EP disclosed
US-20060074102-A1 Kinase inhibitors as therapeutic agents ABBOTT LABORATORIES 2006-04-06 US disclosed
WO-2005110410-A2 KINASE INHIBITORS AS THERAPEUTIC AGENTS ABBOTT LABORATORIES (US) 2005-11-24 WO 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-20060074102-A1 Kinase inhibitors as therapeutic agents ABL1, MAP3K19, MAP3K20 PTPN2 457/4885CDK8 181/4885ICAM1 4375/4885

“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.