SCHEMBL19853511

SCHEMBL19853511

Cc1ccc2c(Cc3ccc4c(Cl)n[nH]c4c3)n[nH]c2c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 16/20 0.42
HSP90AB1 P08238 15/20 0.41
ITK Q08881 2/20 0.39
MAP2K4 P45985 1/20 0.38
CDK8 P49336 1/20 0.38
LMNA P02545 1/20 0.36

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
SCHEMBL8269417 0.83 ITK (0.50) ITKMAP2K4
SCHEMBL130781 0.74 ITK (0.47) ITKMAP2K4
SCHEMBL15078644 0.73 ITK (0.44) HSP90AA1HSP90AB1ITKMAP2K4LMNA
SCHEMBL12491409 0.72 PRKAB2 (0.46) HSP90AB1MAP2K4
SCHEMBL4217250 0.71 HSP90AA1 (0.55) HSP90AA1HSP90AB1CDK8
SCHEMBL19272818 0.71 KDM4E (0.36) HSP90AA1HSP90AB1ITKMAP2K4
SCHEMBL7216744 0.70 MAP2K4 (0.53) ITKMAP2K4
SCHEMBL14564411 0.68 MAPT (0.49) ITKMAP2K4LMNA
SCHEMBL10189221 0.67 KIF11 (0.47) MAP2K4LMNA
SCHEMBL22275998 0.67 FFAR1 (0.39) HSP90AA1HSP90AB1ITKMAP2K4LMNA

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-10179124-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-01-15 US disclosed
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2018-02-08 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 (2 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-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 HSP90AA1 3853/4885HSP90AB1 3531/4885ITK 3933/4885
US-10179124-B2 Benzamides and related inhibitors of factor Xa TFPI, F12, TFPI2 HSP90AA1 3853/4885HSP90AB1 3531/4885ITK 3933/4885

“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.