SCHEMBL5452636

SCHEMBL5452636

COc1ccc(N2CCN(C)CC2)c2c1CCN(C(=O)c1ccc(C3CCCCC3)cc1)C2

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTHFD2 P13995 2/20 0.44
SLC6A7 Q99884 1/20 0.44
PDE4B Q07343 10/20 0.43
PDE4D Q08499 6/20 0.43
LMNA P02545 1/20 0.43
HSD11B1 P28845 1/20 0.43
MCHR1 Q99705 1/20 0.42
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL14596957 0.86 HTR1A (0.50) MCHR1
SCHEMBL5452542 0.82 MEN1 (0.48) MTHFD2PDE4BLMNAMAPK1MEN1
SCHEMBL5452408 0.82 MEN1 (0.59) MTHFD2SLC6A7LMNAMAPK1MEN1
SCHEMBL5450910 0.82 MEN1 (0.48) MTHFD2PDE4BPDE4DLMNAMAPK1
SCHEMBL5449763 0.81 MEN1 (0.48) MTHFD2SLC6A7LMNAMAPK1MEN1
SCHEMBL5458790 0.80 TMEM97 (0.48) MTHFD2LMNAMAPK1MEN1POLB
SCHEMBL5459678 0.80 LMNA (0.48) MTHFD2SLC6A7LMNAMAPK1MEN1
SCHEMBL5447987 0.78 TMEM97 (0.46) MTHFD2
SCHEMBL22411192 0.78 MTHFD2 (0.43) MTHFD2LMNAMAPK1MEN1KMT2A
SCHEMBL5454925 0.77 MTHFD2 (0.44) MTHFD2LMNAMAPK1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070010526-A1 Therapeutic isoquinoline compounds ASTRAZENECA AB (SE) 2007-01-11 US disclosed
US-20070010526-A1 Therapeutic isoquinoline compounds ASTRAZENECA AB (SE) 2007-01-11 US disclosed
US-20070010526-A1 Therapeutic isoquinoline compounds ASTRAZENECA AB (SE) 2007-01-11 US disclosed
EP-1451172-A1 THERAPEUTIC ISOQUINOLINE COMPOUNDS AstraZeneca AB (SE) 2004-09-01 EP disclosed
WO-2003037887-A1 THERAPEUTIC ISOQUINOLINE COMPOUNDS ASTRAZENECA AB (SE) 2003-05-08 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-20070010526-A1 Therapeutic isoquinoline compounds HTR1B, HTR1D, HTR1A MTHFD2 4243/4885SLC6A7 388/4885PDE4B 100/4885

“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.