SCHEMBL1044328

SCHEMBL1044328

COc1nccc2cc(CCCN3C(=O)c4ccccc4C3=O)nc(Cl)c12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.41
MAPT P10636 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
PDE10A Q9Y233 1/20 0.40
RAB9A P51151 2/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL12794747 0.94 HSD17B10 (0.48) HSD17B10MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL12928775 0.82 HSD17B10 (0.47) HSD17B10MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL1049832 0.80 GPR84 (0.44) HSD17B10MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL12794762 0.78 HSD17B10 (0.43) HSD17B10MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL12794749 0.75 ALDH1A1 (0.46) HSD17B10MAPTSMN1; SMN2LMNAPDE10A
SCHEMBL12794736 0.73 MAPK1 (0.39) MEN1KMT2ALMNAPDE10ATSHR
SCHEMBL12960743 0.71 MAPT (0.45) HSD17B10MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL13752970 0.70 MEN1 (0.44) HSD17B10MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL13605792 0.69 HSD17B10 (0.54) HSD17B10MAPTMEN1KMT2ALMNA
SCHEMBL4651676 0.68 HSD17B10 (0.82) HSD17B10MAPTMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546370-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-10-01 US disclosed
US-8546370-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-10-01 US disclosed
US-8546370-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-10-01 US disclosed
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 US disclosed
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 US disclosed
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 US disclosed
EP-2238137-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-10-13 EP disclosed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 WO disclosed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 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-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FYN, SYK, RET HSD17B10 3476/4885MAPT 3127/4885MEN1 3818/4885

“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.