SCHEMBL6270717

SCHEMBL6270717

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

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
POLB P06746 2/20 0.61
HTT P42858 1/20 0.61
TDP1 Q9NUW8 1/20 0.51
TLR8 Q9NR97 1/20 0.49
TLR7 Q9NYK1 1/20 0.49
RPS6KA5 O75582 1/20 0.46
ACSS2 Q9NR19 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
CACNA1D Q01668 1/20 0.43
ADORA2A P29274 1/20 0.41
CSF1R P07333 3/20 0.40
NTRK1 P04629 2/20 0.40
NTRK2 Q16620 2/20 0.40
RAD51 Q06609 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL6420487 0.83 KDM4E (0.50) ALDH1A1POLBHTTTDP1TLR8
SCHEMBL6270713 0.82 TDP1 (0.47) ALDH1A1POLBHTTTDP1TLR8
SCHEMBL6420907 0.82 FGFR1 (0.46) ALDH1A1POLBHTT
SCHEMBL6271298 0.82 RPS6KA5 (0.45) ALDH1A1POLBHTTTLR8RPS6KA5
SCHEMBL21310819 0.82 TLR8 (0.58) ALDH1A1POLBHTTTLR8TLR7
SCHEMBL21310933 0.81 RPS6KA5 (0.44) ALDH1A1POLBHTTTLR8RPS6KA5
SCHEMBL21311070 0.81 TLR8 (0.41) ALDH1A1POLBHTTTLR8TLR7
SCHEMBL21310822 0.81 BACE1 (0.41) ALDH1A1POLBHTTTLR8
SCHEMBL21310816 0.81 BACE1 (0.60) ALDH1A1POLBHTTTLR8TLR7
SCHEMBL21310941 0.80 TLR7 (0.58) TLR8TLR7ACSS2ADORA2A

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 ALDH1A1 3145/4885POLB 3466/4885HTT 3298/4885

“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.