SCHEMBL6264405

SCHEMBL6264405

N#Cc1ccc(-c2ccc(C(=O)O)s2)cn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.65
ALDH1A1 P00352 2/20 0.65
GAA P10253 2/20 0.65
POLB P06746 2/20 0.53
RAB9A P51151 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
MKNK1 Q9BUB5 1/20 0.51
MKNK2 Q9HBH9 1/20 0.51
NPC1 O15118 1/20 0.51
GLA P06280 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NR4A2 P43354 1/20 0.48
IKBKE Q14164 1/20 0.45
TBK1 Q9UHD2 1/20 0.45
HPGDS O60760 1/20 0.44
HDAC1 Q13547 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
ITK Q08881 1/20 0.40
RPS6KB2 Q9UBS0 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
SCHEMBL3783612 0.82 EGLN2 (0.44) KDM4EALDH1A1GAACTSA
SCHEMBL23091175 0.80 KDM4E (0.45) KDM4EALDH1A1GAAPOLBRAB9A
SCHEMBL30501701 0.80 KDM4E (0.45) KDM4EALDH1A1GAAPOLBRAB9A
SCHEMBL6417714 0.79 KDM4E (0.50) KDM4EALDH1A1GAAPOLBRAB9A
SCHEMBL6259708 0.79 KDM4E (1.00) KDM4EALDH1A1GAAPOLBRAB9A
SCHEMBL8339502 0.78 HDAC1 (0.68) KDM4EALDH1A1GAAPOLBRAB9A
SCHEMBL6261025 0.76 KDM4E (0.71) KDM4EALDH1A1GAAPOLBRAB9A
SCHEMBL17212172 0.76 KDM4E (0.71) KDM4EALDH1A1GAAPOLBRAB9A
SCHEMBL12922044 0.76 KDM4E (0.71) KDM4EALDH1A1GAAPOLBRAB9A
SCHEMBL28972519 0.75 MAPT (0.45) KDM4EALDH1A1GAAITKCTSA

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 KDM4E 2880/4885ALDH1A1 3145/4885GAA 2590/4885

“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.