SCHEMBL6023822

SCHEMBL6023822

CCC(Oc1ccc2cc(-c3n[nH]c4ccc(C(=O)O)cc34)ccc2c1)C1CCCN1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.41
MAP2K4 P45985 2/20 0.41
MAPKAPK3 Q16644 2/20 0.41
MAPK6 Q16659 2/20 0.41
BTK Q06187 1/20 0.39
TTK P33981 2/20 0.38
CYP3A4 P08684 1/20 0.38
AURKB Q96GD4 1/20 0.38
INCENP Q9NQS7 1/20 0.38
MAPK8 P45983 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
SCHEMBL6023818 1.00 MAPK1 (0.41) MAPK1MAP2K4MAPKAPK3MAPK6BTK
SCHEMBL4084403 0.80 LRRK2 (0.33) TTKCYP3A4AURKBINCENPMAPK8
SCHEMBL6024086 0.80 RXRA (0.39) MAPK1
SCHEMBL6024082 0.80 RXRA (0.39) MAPK1
SCHEMBL4084104 0.79 TTK (0.36) TTKCYP3A4AURKBINCENPMAPK8
SCHEMBL4089658 0.76 BTK (0.61) MAPK1MAP2K4MAPKAPK3MAPK6BTK
SCHEMBL4090271 0.73 TTK (0.41) MAPK1MAP2K4MAPKAPK3MAPK6TTK
SCHEMBL4090306 0.73 TTK (0.41) MAPK1MAP2K4MAPKAPK3MAPK6TTK
SCHEMBL4083908 0.73 CHRNB2 (0.48)
SCHEMBL4083912 0.73 CHRNB2 (0.48)

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-20060004043-A1 Indazole compounds and methods of use thereof BHAGWAT SHRIPAD S 2006-01-05 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-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 MAPK1 166/4885MAP2K4 357/4885MAPKAPK3 28/4885

“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.