SCHEMBL13745644

SCHEMBL13745644

Ic1cn(OOSc2ccccc2)c2ncc(N3CCOCC3)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 4/20 0.38
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.35
LRRK2 Q5S007 1/20 0.35
BRD4 O60885 1/20 0.34
GAA P10253 2/20 0.34
PLK4 O00444 1/20 0.33
AKR1C3 P42330 1/20 0.33
ACVR1B P36896 2/20 0.33
TGFBR1 P36897 2/20 0.33
BMPR1B O00238 1/20 0.33
BMPR1A P36894 1/20 0.33
KDR P35968 1/20 0.32
TGFBR2 P37173 1/20 0.32
BMPR2 Q13873 1/20 0.32
PRKAB1 Q9Y478 1/20 0.32
PRKDC P78527 1/20 0.32
CETP P11597 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL13745646 0.82 ACVR1 (0.46) ACVR1LRRK2ACVR1BTGFBR1BMPR1B
SCHEMBL13745883 0.79 ACVR1 (0.36) ACVR1ALDH1A1SMN1; SMN2LRRK2BRD4
SCHEMBL13745827 0.75 PTGER4 (0.38)
SCHEMBL1488055 0.72 BRD4 (0.54) ACVR1ALDH1A1SMN1; SMN2BRD4L3MBTL1
SCHEMBL18891808 0.71 ACVR1 (0.37) ACVR1ALDH1A1SMN1; SMN2LMNALRRK2
SCHEMBL14049302 0.71 ACVR1 (0.37) ACVR1ALDH1A1SMN1; SMN2LMNALRRK2
SCHEMBL13745998 0.71 BRD4 (0.45) ACVR1ALDH1A1SMN1; SMN2LMNABRD4
SCHEMBL13745928 0.71 CAMKK2 (0.41) BRD4
SCHEMBL25970829 0.68 BRD4 (0.42) ACVR1ALDH1A1SMN1; SMN2LMNALRRK2
SCHEMBL22403202 0.68 ACVR1 (0.37) ACVR1ALDH1A1SMN1; SMN2LRRK2ACVR1B

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-20090215771-A1 JNK INHIBITORS GRACZYK PIOTR 2009-08-27 US disclosed
US-7432375-B2 JNK inhibitors EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-10-07 US 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-20090215771-A1 JNK INHIBITORS MAPKAPK2, MAPK1, MAPKAPK3 ACVR1 4781/4885ALDH1A1 3681/4885SMN1; SMN2 576/4885

“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.