SCHEMBL1177064

SCHEMBL1177064

c1ccc(C[C](c2ccccc2)c2cc[nH]n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAM P19021 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
AKR1B1 P15121 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
KMT2A Q03164 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CTSL P07711 1/20 0.32
TSHR P16473 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL27814626 0.77 CES2 (0.45) PAMCES2CES1AKR1B1HCAR2
SCHEMBL127185 0.74 CES1 (0.52) CES2CES1AKR1B1KMT2AL3MBTL1
SCHEMBL11256292 0.74 F2 (0.33) CES2CES1KMT2AALDH1A1TSHR
SCHEMBL1177045 0.71 CES2 (0.34) CES2CES1KMT2AL3MBTL1ALDH1A1
SCHEMBL135361 0.71 KMT2A (0.50) CES2CES1KMT2AL3MBTL1ALDH1A1
SCHEMBL28785921 0.71 MAPT (0.33) CES2CES1KMT2AL3MBTL1ALDH1A1
SCHEMBL9350740 0.71 F2 (0.37) CES2CES1KMT2AALDH1A1TSHR
SCHEMBL30081232 0.71 MEN1 (0.37) CES2CES1KMT2AALDH1A1TSHR
SCHEMBL7738334 0.71 PKM (0.37) CES2CES1KMT2AL3MBTL1ALDH1A1
(Chloromethyl)Benzene SCHEMBL28077974 0.68 HCAR2 (0.47) PAMHCAR2KMT2AL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324204-B2 Fused thiophene derivatives as kinase inhibitors UCB PHARMA SA (BE) 2012-12-04 US disclosed
US-8242116-B2 Fused thiazole derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2012-08-14 US disclosed
US-8168634-B2 Thiazole derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2012-05-01 US disclosed
EP-1881827-B1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2011-09-28 EP disclosed
EP-2035436-B1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2011-05-25 EP disclosed
US-7888344-B2 Fused thiazole derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2011-02-15 US disclosed
US-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-12-02 US disclosed
US-20100298310-A1 Thiazole Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-11-25 US disclosed
US-20100137302-A1 Fused Thiazole Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-06-03 US disclosed
EP-2084155-A1 THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-08-05 EP disclosed
EP-2035436-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-03-18 EP disclosed
EP-2029570-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-03-04 EP disclosed
US-20080306060-A1 Fused Thiazole Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2008-12-11 US disclosed
WO-2008047109-A1 THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2008-04-24 WO disclosed
EP-1881827-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2008-01-30 EP disclosed
WO-2008001076-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2008-01-03 WO disclosed
WO-2007141504-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2007-12-13 WO disclosed
WO-2006114606-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2006-11-02 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 (4 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-20100137302-A1 Fused Thiazole Derivatives as Kinase Inhibitors PI4KA, PDPK1, PIK3CA PAM 2530/4885CES2 4414/4885CES1 1566/4885
US-20100298310-A1 Thiazole Derivatives as Kinase Inhibitors TEC, BTK, PI4KA PAM 3012/4885CES2 4032/4885CES1 2358/4885
US-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors PIKFYVE, PI4KA, PIK3CA PAM 4283/4885CES2 4536/4885CES1 1960/4885
US-20080306060-A1 Fused Thiazole Derivatives as Kinase Inhibitors MAP4K2, PDPK1, DAPK2 PAM 3597/4885CES2 4647/4885CES1 3158/4885

“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.