SCHEMBL6981804

SCHEMBL6981804

COc1ccc(CNC(=O)CN(C(=O)c2ccc3ccnc(N)c3c2)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
KLKB1 P03952 3/20 0.46
KLK1 P06870 3/20 0.46
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGDS O60760 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
PDK1 Q15118 1/20 0.42
ATM Q13315 1/20 0.42
ADORA3 P0DMS8 1/20 0.41

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
SCHEMBL6982268 0.90 HDAC1 (0.45) KMT2AMEN1KLKB1KLK1HDAC1
SCHEMBL6978341 0.82 ALDH1A1 (0.52) KMT2AMEN1NPC1ALDH1A1LMNA
SCHEMBL1625105 0.79 MEN1 (0.49) KMT2AMEN1HDAC1HDAC6NPC1
SCHEMBL6982561 0.78 NPC1 (0.44) KMT2ANPC1ALDH1A1LMNA
SCHEMBL6980328 0.77 F10 (0.45) KMT2AMEN1ALDH1A1POLB
SCHEMBL6977029 0.73 F10 (0.43) KMT2AALDH1A1
SCHEMBL6980408 0.71 ALDH1A1 (0.37) ALDH1A1
SCHEMBL6983671 0.71 TAOK3 (0.48) ALDH1A1LMNA
SCHEMBL1625144 0.70 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1
SCHEMBL6983673 0.70 HTR1A (0.47) KMT2AMEN1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020040144-A1 1-amino-7-isoquinoline derivatives as serine protease inhibitors TULARIK LIMITED (GB) 2002-04-04 US claimed
US-6262069-B1 1-amino-7-isoquinoline derivatives as serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2001-07-17 US claimed
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 KMT2A 2267/4885MEN1 3944/4885KLKB1 798/4885

“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.