SCHEMBL6068438

SCHEMBL6068438

Cc1nn(Cc2ccccc2)c(-c2ccccc2)c1C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.59
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
MAPK1 P28482 1/20 0.54
GAA P10253 3/20 0.52
LMNA P02545 3/20 0.52
NPC1 O15118 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.49
RAB9A P51151 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 5/20 0.47
CYP19A1 P11511 1/20 0.47
NTRK1 P04629 1/20 0.46
PIM1 P11309 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
CASP3 P42574 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
Thiophene Carboxylic Acid SCHEMBL6068738 0.88 LMNA (0.53) POLBKMT2AMEN1MAPK1GAA
SCHEMBL31194566 0.83 MAPK1 (0.71) POLBKMT2AMEN1MAPK1GAA
SCHEMBL19209447 0.83 MAPK1 (0.71) POLBKMT2AMEN1MAPK1GAA
SCHEMBL5739917 0.81 KDM4E (0.69) POLBKMT2AMEN1MAPK1GAA
SCHEMBL23401382 0.79 GAA (0.56) POLBKMT2AMEN1MAPK1GAA
SCHEMBL19209438 0.75 GAA (0.52) POLBKMT2AMEN1GAALMNA
SCHEMBL20551418 0.75 MAPK1 (0.73) POLBKMT2AMEN1MAPK1GAA
SCHEMBL3491683 0.75 POLB (0.52) POLBKMT2AMEN1MAPK1GAA
SCHEMBL8444618 0.75 POLB (1.00) POLBKMT2AMEN1MAPK1GAA
Thiophene Carboxylic Acid SCHEMBL5740301 0.74 LMNA (0.55) POLBKMT2AMEN1MAPK1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7132428-B2 Pyrazoloisoquinoline derivative as kinase inhibitors for the treatment of various disorders AVENTIS PHARMACEUTICALS INC. (US) 2006-11-07 US disclosed
US-20050009859-A1 Pyrazoloisoquinoline derivative as kinase inhibitors for the treatment of various disorders AVENTIS PHARMACEUTICALS INC. (US) 2005-01-13 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-20050009859-A1 Pyrazoloisoquinoline derivative as kinase inhibitors for the treatment of various disorders PRKDC, MAP3K2, MAP3K20 POLB 793/4885KMT2A 1552/4885MEN1 1575/4885

“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.