SCHEMBL6980328

SCHEMBL6980328

COc1ccc(N2CCN(C(N)=O)CC2)cc1.Nc1nccc2ccc(C(=O)N(CC(=O)O)c3ccccc3)cc12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.45
F2 P00734 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 3/20 0.42
MAPK1 P28482 1/20 0.41
C1S P09871 1/20 0.41
POLB P06746 2/20 0.40
GAA P10253 2/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MCL1 Q07820 1/20 0.39
PARP14 Q460N5 1/20 0.39
PARP10 Q53GL7 1/20 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
SCHEMBL6977029 0.93 F10 (0.43) F10F2KMT2AC1SALDH1A1
SCHEMBL6984824 0.92 F10 (0.50) F10F2MAPTC1SHTR2A
SCHEMBL6985466 0.91 C1S (0.51) F10F2KMT2AMAPTC1S
SCHEMBL6979340 0.91 F10 (0.48) F10F2MAPTC1SGAA
SCHEMBL6982988 0.91 F10 (0.47) F10F2MAPTC1SGAA
SCHEMBL6982312 0.90 F10 (0.47) F10F2KMT2AMEN1MAPT
SCHEMBL6969289 0.90 F10 (0.47) F10F2KMT2AMEN1MAPK1
SCHEMBL6979107 0.90 F10 (0.56) F10F2C1SALDH1A1
SCHEMBL6983673 0.88 HTR1A (0.47) F10F2KMT2AMEN1POLB
SCHEMBL6980071 0.87 F10 (0.45) F10KMT2AMEN1MAPTMAPK1

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 4 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

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 F10 1211/4885F2 776/4885KMT2A 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.