SCHEMBL6273767

SCHEMBL6273767

CC(C)(O)Cn1c(C(N)=O)nc2cc(CNCCCO)ccc21

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITK Q08881 13/20 0.42
INSR P06213 11/20 0.42
EGFR P00533 3/20 0.41
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
CNR2 P34972 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
SCHEMBL6420350 0.87 ITK (0.50) ITKINSREGFR
SCHEMBL6273772 0.85 BACE1 (0.44) ITKINSREGFRKDM4EPOLB
SCHEMBL6420438 0.80 ITK (0.55) ITKINSR
SCHEMBL6274629 0.80 ITK (0.55) ITKINSR
SCHEMBL6421019 0.80 ITK (0.56) ITKINSRHDAC1
SCHEMBL6275914 0.77 ITK (0.41) ITKINSRCNR2
SCHEMBL6271293 0.77 JAK2 (0.45) ITKINSRCNR2
SCHEMBL6420483 0.77 KDM4E (0.45) ITKINSRKDM4ECNR2
SCHEMBL6270636 0.76 CNR2 (0.40) ITKINSRHDAC1HDAC8CNR2
SCHEMBL6270713 0.74 TDP1 (0.47) KDM4EPOLBCNR2

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-20050209284-A1 Tec kinase inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-22 US disclosed
WO-2005079791-A1 THIOPHENE -2- CARBOXYLIC ACID - (1H - BENZIMIDAZOL - 2 YL) - AMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE TEC KINASE ITK (INTERLEUKIN -2- INDUCIBLE T CELL KINASE) FOR THE TREATMENT OF INFLAMMATION, IMMUNOLOGICAL AND ALLERGIC DISORDERS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-01 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-20050209284-A1 Tec kinase inhibitors TEC, ITK, TXK ITK 2/4885INSR 910/4885EGFR 967/4885

“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.