SCHEMBL5452408

SCHEMBL5452408

COc1ccc(N2CCN(C)CC2)c2c1CCN(C(=O)c1ccc(-c3ccccc3)cc1)C2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
POLB P06746 5/20 0.58
HTR1A P08908 2/20 0.48
HTR2A P28223 2/20 0.48
HTR1D P28221 1/20 0.48
HTR1B P28222 1/20 0.48
HTR2C P28335 1/20 0.48
HTR6 P50406 1/20 0.48
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.46
CDK4 P11802 2/20 0.46
CCND1 P24385 2/20 0.46
MAPK1 P28482 2/20 0.45
HTT P42858 1/20 0.45
DRD2 P14416 1/20 0.44
MTHFD2 P13995 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL5452542 0.92 MEN1 (0.48) MEN1KMT2APOLBHTR2AALDH1A1
SCHEMBL5450910 0.92 MEN1 (0.48) MEN1KMT2APOLBLMNACDK4
SCHEMBL5449763 0.90 MEN1 (0.48) MEN1KMT2APOLBHTR2AALDH1A1
SCHEMBL5459678 0.89 LMNA (0.48) MEN1KMT2APOLBLMNAGAA
SCHEMBL5458790 0.89 TMEM97 (0.48) MEN1KMT2APOLBHTR1AHTR2A
SCHEMBL5446338 0.85 KMT2A (0.52) MEN1KMT2APOLBHTR1AHTR2A
SCHEMBL5447987 0.84 TMEM97 (0.46) HTR1AHTR2AHTR1DHTR1BHTR2C
SCHEMBL5452636 0.82 MTHFD2 (0.44) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL22411192 0.81 MTHFD2 (0.43) MEN1KMT2ALMNAGAAMAPK1
SCHEMBL5445015 0.80 NPC1 (0.58) KMT2AHTR1AHTR1DHTR1BDRD2

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 3 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

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 MEN1 385/4885KMT2A 1271/4885POLB 2352/4885

“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.