SCHEMBL6984075

SCHEMBL6984075

O=C(O)c1ccc2ccncc2c1.[KH]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.55
HIPK2 Q9H2X6 1/20 0.47
NAMPT P43490 1/20 0.47
SMYD3 Q9H7B4 1/20 0.47
NAPRT Q6XQN6 1/20 0.47
CSNK2A2 P19784 3/20 0.46
CSNK2B P67870 2/20 0.46
ALDH1A1 P00352 1/20 0.46
APP P05067 1/20 0.46
GAA P10253 1/20 0.46
HCAR3 P49019 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
KMO O15229 1/20 0.45
KDM4E B2RXH2 1/20 0.44
CSNK2A1 P68400 2/20 0.44
PARP1 P09874 1/20 0.44
LCK P06239 1/20 0.44
CSF1R P07333 1/20 0.44
KDR P35968 1/20 0.44
MAPK14 Q16539 1/20 0.44

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
SCHEMBL29488886 0.98 MRGPRX4 (0.56) MRGPRX4HIPK2NAMPTSMYD3NAPRT
SCHEMBL1403704 0.98 MRGPRX4 (0.56) MRGPRX4HIPK2NAMPTSMYD3NAPRT
Potassium SCHEMBL6984080 0.96 MRGPRX4 (0.55) MRGPRX4HIPK2NAMPTSMYD3NAPRT
Hydrochloric Acid SCHEMBL29816771 0.96 MRGPRX4 (0.55) MRGPRX4HIPK2NAMPTSMYD3NAPRT
SCHEMBL29489099 0.91 SMYD3 (0.55) MRGPRX4HIPK2SMYD3NAPRTCSNK2A2
SCHEMBL113378 0.91 SMYD3 (0.55) MRGPRX4HIPK2SMYD3NAPRTCSNK2A2
SCHEMBL27867058 0.90 MRGPRX4 (0.50) MRGPRX4HIPK2NAMPTSMYD3NAPRT
Hydrochloric Acid SCHEMBL7557776 0.89 SMYD3 (0.54) MRGPRX4HIPK2SMYD3NAPRTCSNK2A2
Piperidine SCHEMBL28207934 0.85 CSNK2A1 (0.47) MRGPRX4HIPK2NAMPTSMYD3ALDH1A1
SCHEMBL9100347 0.82 IMPDH2 (0.54) MRGPRX4SMYD3ALDH1A1GAAKDM4E

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 MRGPRX4 1776/4885HIPK2 2641/4885NAMPT 3986/4885

“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.