SCHEMBL5550746

SCHEMBL5550746

Cc1c(C(=O)O)sc2cncc(Nc3ccc(Br)cc3)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.43
MAP3K8 P41279 2/20 0.42
MKNK2 Q9HBH9 3/20 0.41
MKNK1 Q9BUB5 2/20 0.41
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
PTGS1 P23219 2/20 0.39
PTGS2 P35354 2/20 0.39
SHMT2 P34897 1/20 0.39
MAPT P10636 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 1/20 0.38
DHODH Q02127 1/20 0.38
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
KDM1A O60341 1/20 0.34
PKM P14618 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL5550269 0.89 MAP3K8 (0.42) MAP3K8MKNK2MKNK1AKR1C3AKR1C2
SCHEMBL5550510 0.88 ALDH1A1 (0.46) MAP3K8MKNK2AKR1C3AKR1C2PTGS1
SCHEMBL7055499 0.79 MAP3K8 (0.44) MAP3K8MKNK2MKNK1PTGS1PTGS2
SCHEMBL5550182 0.72 MAP3K8 (0.76) MAP3K8AKR1C3AKR1C2
SCHEMBL4914862 0.67 MAPT (0.70) MAPTNPSR1KDM4EDHODHNPC1
SCHEMBL5554072 0.67 MAP3K8 (0.74) MAP3K8MKNK2
SCHEMBL16737187 0.66 PTPN2 (0.51) AKR1C3AKR1C2MAPTDHODHNPC1
SCHEMBL7053701 0.65 ICAM1 (0.58)
SCHEMBL5555765 0.64 ALDH1A1 (0.45) GPR35MAPTKDM4ERXFP1ALDH1A1
SCHEMBL6789292 0.64 SMN1; SMN2 (0.48) AKR1C3AKR1C2PTGS1PTGS2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GPR35 4006/4885MAP3K8 13/4885MKNK2 58/4885

“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.