SCHEMBL6270713

SCHEMBL6270713

COc1ccc2c(c1)nc(C(N)=O)n2CC(C)(C)O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 3/20 0.46
POLB P06746 2/20 0.44
HTT P42858 1/20 0.44
TLR8 Q9NR97 1/20 0.44
TLR7 Q9NYK1 1/20 0.44
CNR2 P34972 1/20 0.42
HPGDS O60760 1/20 0.42
ACSS2 Q9NR19 1/20 0.41
RPS6KA5 O75582 1/20 0.41
BRD4 O60885 1/20 0.40
TBXA2R P21731 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP2C9 P11712 1/20 0.39
KIF11 P52732 1/20 0.39
GRM2 Q14416 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL6271293 0.84 JAK2 (0.45) CNR2RPS6KA5KMT2A
SCHEMBL6420483 0.84 KDM4E (0.45) HTTTLR7CNR2KDM4EKMT2A
SCHEMBL6420903 0.83 FGFR1 (0.43) ALDH1A1POLBCNR2KDM4E
SCHEMBL6270717 0.82 ALDH1A1 (0.61) TDP1ALDH1A1POLBHTTTLR8
SCHEMBL7071552 0.81 TDP1 (0.48) TDP1ALDH1A1POLBHTTTLR7
SCHEMBL6270636 0.81 CNR2 (0.40) CNR2KMT2A
SCHEMBL6419560 0.79 EGFR (0.43) CNR2KMT2A
SCHEMBL6277067 0.78 ITK (0.39) CNR2
SCHEMBL6420350 0.77 ITK (0.50)
SCHEMBL6270096 0.77 GRM2 (0.49) GRM2

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 TDP1 869/4885ALDH1A1 3145/4885POLB 3466/4885

“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.