SCHEMBL6981791

SCHEMBL6981791

NC(=O)N1CCN(c2ccccn2)CC1.Nc1nccc2ccc(C(=O)N(CC(=O)O)c3ccccc3)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
POLB P06746 1/20 0.44
F10 P00742 1/20 0.43
KDM4E B2RXH2 8/20 0.43
TSHR P16473 6/20 0.42
MAPT P10636 3/20 0.42
HTT P42858 2/20 0.42
HSD17B10 Q99714 4/20 0.42
RECQL P46063 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
ALDH1A1 P00352 5/20 0.41
MAPK1 P28482 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
SLC6A7 Q99884 1/20 0.41
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL6979831 0.92 F10 (0.44) KMT2AF10KDM4ETSHRMAPT
SCHEMBL6984443 0.91 F10 (0.45) KMT2AMEN1POLBF10TSHR
SCHEMBL6984824 0.91 F10 (0.50) F10KDM4ETSHRMAPTHTT
SCHEMBL6979340 0.88 F10 (0.48) F10TSHRMAPTHTTHSD17B10
SCHEMBL6979107 0.88 F10 (0.56) F10TSHRALDH1A1LMNAF2
SCHEMBL6983681 0.88 F2 (0.42) F10CYP3A4CYP2C9HPGDALDH1A1
SCHEMBL6979694 0.88 F10 (0.42) KMT2AMEN1F10MAPTALDH1A1
SCHEMBL6982988 0.88 F10 (0.47) F10KDM4ETSHRMAPTHTT
SCHEMBL6985250 0.88 F10 (0.42) KMT2APOLBF10MAPTHTT
SCHEMBL6975715 0.87 F10 (0.42) F10MAPTHSD17B10CYP3A4CYP2C9

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 KMT2A 2267/4885MEN1 3944/4885POLB 3286/4885

“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.