SCHEMBL6259243

SCHEMBL6259243

O=C(O)c1ccc(-c2ccnc(F)c2)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 3/20 0.54
GAA P10253 2/20 0.54
HPGDS O60760 1/20 0.53
MKNK1 Q9BUB5 1/20 0.53
MKNK2 Q9HBH9 1/20 0.53
POLB P06746 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPC1 O15118 1/20 0.49
GLA P06280 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HDAC6 Q9UBN7 5/20 0.46
HDAC1 Q13547 4/20 0.46
DAO P14920 1/20 0.44
HPGD P15428 1/20 0.44
RPS6KB2 Q9UBS0 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43

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
SCHEMBL17065302 0.86 IKBKB (0.50) KDM4EALDH1A1GAAHPGDSMKNK1
SCHEMBL1301094 0.84 KDM4E (0.61) KDM4EALDH1A1GAAHPGDSMKNK1
SCHEMBL20893763 0.83 KDM4E (0.64) KDM4EALDH1A1GAAHPGDSMKNK1
SCHEMBL16896526 0.81 KDM4E (0.56) KDM4EALDH1A1GAAHPGDSMKNK1
SCHEMBL29505288 0.81 KDM4E (0.56) KDM4EALDH1A1GAAHPGDSMKNK1
SCHEMBL19892454 0.79 ALDH1A1 (0.51) KDM4EALDH1A1GAAHPGDSMKNK1
SCHEMBL17053129 0.79 KDM4E (0.53) KDM4EALDH1A1GAAHPGDSMKNK1
SCHEMBL2247205 0.79 RAB9A (0.59) KDM4EALDH1A1GAAHPGDSMKNK1
SCHEMBL17201646 0.78 KDM4E (0.50) KDM4EALDH1A1GAAHPGDSMKNK1
SCHEMBL6417714 0.78 KDM4E (0.50) KDM4EALDH1A1GAAHPGDSMKNK1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9932329-B2 Benzimidazole derivatives as RLK and ITK inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2018-04-03 US disclosed
US-9932329-B2 Benzimidazole derivatives as RLK and ITK inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2018-04-03 US disclosed
US-9932329-B2 Benzimidazole derivatives as RLK and ITK inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2018-04-03 US disclosed
EP-3114124-A1 BENZIMIDAZOLE DERIVATIVES AS RLK and ITK INHIBITORS PRINCIPIA BIOPHARMA, INC. (US) 2017-01-11 EP disclosed
US-20160368908-A1 BENZIMIDAZOLE DERIVATIVES AS RLK AND ITK INHIBITORS PRINCIPIA BIOPHARMA, INC. 2016-12-22 US disclosed
US-20160368908-A1 BENZIMIDAZOLE DERIVATIVES AS RLK AND ITK INHIBITORS PRINCIPIA BIOPHARMA, INC. 2016-12-22 US disclosed
US-20160368908-A1 BENZIMIDAZOLE DERIVATIVES AS RLK AND ITK INHIBITORS PRINCIPIA BIOPHARMA, INC. 2016-12-22 US disclosed
WO-2015134210-A1 BENZIMIDAZOLE DERIVATIVES AS RLK and ITK INHIBITORS PRINCIPIA BIOPHARMA, INC. (US) 2015-09-11 WO disclosed
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 (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-20160368908-A1 BENZIMIDAZOLE DERIVATIVES AS RLK AND ITK INHIBITORS ITK, BLK, LMTK2 KDM4E 2697/4885ALDH1A1 1664/4885GAA 661/4885
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.