SCHEMBL2493669

SCHEMBL2493669

CC(C)(C)C(=O)Cn1c(=N)n(Cc2ccccc2)c2ccccc21

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.97
KDM4E B2RXH2 4/20 0.97
MAPT P10636 4/20 0.97
LMNA P02545 2/20 0.97
L3MBTL1 Q9Y468 1/20 0.97
ALDH1A1 P00352 3/20 0.70
KMT2A Q03164 4/20 0.70
MEN1 O00255 2/20 0.70
HPGD P15428 1/20 0.70
TSHR P16473 3/20 0.67
MAPK1 P28482 1/20 0.67
RAB9A P51151 1/20 0.66
HTT P42858 2/20 0.64
F2R P25116 3/20 0.61
SLC5A2 P31639 1/20 0.59
TDP1 Q9NUW8 1/20 0.57
NPSR1 Q6W5P4 2/20 0.56
TP53 P04637 1/20 0.56
MITF O75030 2/20 0.55
OXTR P30559 1/20 0.55

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
SCHEMBL15826887 0.84 SMN1; SMN2 (0.71) SMN1; SMN2KDM4EMAPTLMNAL3MBTL1
SCHEMBL4103262 0.83 SMN1; SMN2 (0.73) SMN1; SMN2KDM4EMAPTLMNAL3MBTL1
SCHEMBL10016605 0.81 RAB9A (0.97) SMN1; SMN2KDM4EMAPTLMNAL3MBTL1
SCHEMBL1170484 0.79 LMNA (1.00) SMN1; SMN2KDM4EMAPTLMNAL3MBTL1
Bromide SCHEMBL6748462 0.78 MAPT (0.82) SMN1; SMN2KDM4EMAPTLMNAL3MBTL1
SCHEMBL14470550 0.77 MAPT (0.88) SMN1; SMN2KDM4EMAPTLMNAL3MBTL1
SCHEMBL12393183 0.76 F2R (1.00) SMN1; SMN2KDM4EMAPTLMNAL3MBTL1
Bromide SCHEMBL2351227 0.76 F2R (0.98) SMN1; SMN2KDM4EMAPTLMNAL3MBTL1
Bromide SCHEMBL6751179 0.75 TSHR (0.63) SMN1; SMN2KDM4EMAPTLMNAL3MBTL1
Bromide SCHEMBL6750407 0.75 F2R (0.64) SMN1; SMN2KDM4EMAPTLMNAL3MBTL1

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
EP-2373629-B1 COMPOUNDS FOR TREATING CANCER BOEHRINGER INGELHEIM INT (DE) 2013-04-10 EP claimed
US-20110312969-A1 COMPOUNDS FOR TREATING CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US claimed
EP-2373629-A1 COMPOUNDS FOR TREATING CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-12 EP claimed
WO-2010067067-A1 COMPOUNDS FOR TREATING CANCER EVOTEC AG (DE) 2010-06-17 WO claimed
US-8759520-B2 Compounds for treating cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-24 US disclosed
EP-2373629-B1 COMPOUNDS FOR TREATING CANCER BOEHRINGER INGELHEIM INT (DE) 2013-04-10 EP disclosed
US-20110312969-A1 COMPOUNDS FOR TREATING CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
EP-2373629-A1 COMPOUNDS FOR TREATING CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-12 EP disclosed
WO-2010067067-A1 COMPOUNDS FOR TREATING CANCER EVOTEC AG (DE) 2010-06-17 WO disclosed
WO-2010067067-A1 COMPOUNDS FOR TREATING CANCER EVOTEC AG (DE) 2010-06-17 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-20110312969-A1 COMPOUNDS FOR TREATING CANCER BCL2, BAX, BCL2A1 SMN1; SMN2 2259/4885KDM4E 1650/4885MAPT 3739/4885

“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.