SCHEMBL6982791

SCHEMBL6982791

CCOC(=O)c1ccc2ccnc(N)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAOA P21397 1/20 0.50
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
ALDH1A1 P00352 5/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HCRTR1 O43613 2/20 0.47
JMJD6 Q6NYC1 3/20 0.46
RAB9A P51151 5/20 0.46
KDM4E B2RXH2 4/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46

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
Hydrochloric Acid SCHEMBL6974947 0.99 LMNA (0.49) LMNACYP1A2CYP3A4MAOACA12
SCHEMBL27512136 0.89 LMNA (0.50) LMNACYP1A2CYP3A4MAOACA12
SCHEMBL2671190 0.83 ALDH1A1 (0.53) CYP1A2CA12CA1CA2CA7
SCHEMBL2671186 0.81 ALDH1A1 (0.48) CYP1A2CA12CA1CA2CA7
SCHEMBL27513513 0.78 LMNA (0.50) LMNACYP1A2CYP3A4MAOACA12
SCHEMBL6436253 0.77 CSNK2A1 (0.54) SMN1; SMN2
SCHEMBL6978513 0.77 PLAU (0.63) ALDH1A1KDM4EMAPT
SCHEMBL10391503 0.77 CDC25B (0.56) LMNACYP1A2CYP3A4MAOACA12
SCHEMBL23743567 0.77 MAOB (0.46) LMNACYP1A2CYP3A4MAOAALDH1A1
SCHEMBL27495187 0.77 LMNA (0.49) LMNACYP1A2CYP3A4MAOACA12

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 LMNA 460/4885CYP1A2 2391/4885CYP3A4 3345/4885

“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.