SCHEMBL6981887

SCHEMBL6981887

Cc1ccc(C(N)=O)c(N)c1CCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
RPS6KB1 P23443 1/20 0.39
AKT1 P31749 1/20 0.39
ADRA1D P25100 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
FFAR1 O14842 1/20 0.39
GPR52 Q9Y2T5 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN2A Q99250 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
SCHEMBL6979589 0.89 MCL1 (0.41) SIRT2L3MBTL1KMT2AMEN1NPC1
SCHEMBL6981891 0.88 SIRT2 (0.44) SIRT2L3MBTL1KMT2AMEN1RPS6KB1
SCHEMBL6979592 0.80 MCL1 (0.41) L3MBTL1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3628084 0.77 NOS3 (0.39) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL5550889 0.76 PLA2G2A (0.47) SIRT2L3MBTL1ADRA1DALDH1A1HPGD
SCHEMBL11901439 0.74 SIRT2 (0.64) SIRT2L3MBTL1KMT2AADRA1DNPC1
SCHEMBL27475690 0.72 BCAT2 (0.47) KMT2AMEN1ALDH1A1KDM4E
SCHEMBL7204830 0.71 HPGD (0.50) L3MBTL1KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL15676699 0.71 RAB9A (0.48) SIRT2L3MBTL1KMT2ANPC1RAB9A
SCHEMBL6528867 0.71 ALDH1A1 (0.42) KMT2AMEN1RPS6KB1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1012166-B1 1-AMINO-7-ISOQUINOLINE DERIVATIVES AS SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2003-10-29 EP disclosed
US-6420438-B1 FOR THERAPY OF THROMBOTIC DISEASE, ASTHMA, EMPHYSEMA, CIRRHOSIS, ARTHRITIS, CARCINOMA, MELANOMA, RESTENOIS, ATHEROMA, TRAUMA, SHOCK AND REPERFUSION INJURY TULARIK LIMITED (GB) 2002-07-16 US disclosed
US-20020040144-A1 1-amino-7-isoquinoline derivatives as serine protease inhibitors TULARIK LIMITED (GB) 2002-04-04 US disclosed
US-6262069-B1 1-amino-7-isoquinoline derivatives as serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2001-07-17 US disclosed
EP-1012166-A1 1-AMINO-7-ISOQUINOLINE DERIVATIVES AS SERINE PROTEASE INHIBITORS Protherics Molecular Design Limited (GB) 2000-06-28 EP disclosed
WO-1999011657-A1 1-AMINO-7-ISOQUINOLINE DERIVATIVES AS SERINE PROTEASE INHIBITORS PROTEUS MOLECULAR DESIGN LTD. (GB) 1999-03-11 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-20020040144-A1 1-amino-7-isoquinoline derivatives as serine protease inhibitors CTRL, HPN, CTSL SIRT2 2767/4885L3MBTL1 355/4885KMT2A 2267/4885

“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.