SCHEMBL3610936

SCHEMBL3610936

O=C(Nc1ccc2c(c1)CCNC2)c1cnn(Cc2ccc(F)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MELK Q14680 3/20 0.60
SLC2A1 P11166 2/20 0.48
F2 P00734 1/20 0.48
PLG P00747 1/20 0.48
PLAU P00749 1/20 0.48
PLAT P00750 1/20 0.48
KLKB1 P03952 1/20 0.48
PRSS1 P07477 1/20 0.48
NAMPT P43490 1/20 0.47
MLNR O43193 1/20 0.47
LMNA P02545 5/20 0.47
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
TP53 P04637 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HPGD P15428 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 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
SCHEMBL13504906 0.91 SLC2A1 (0.59) MELKSLC2A1F2PLGPLAU
Hydrochloric Acid SCHEMBL3603607 0.91 SLC2A1 (0.61) MELKSLC2A1F2PLGPLAU
SCHEMBL13504912 0.90 MELK (0.49) MELKSLC2A1F2PLGPLAU
Hydrochloric Acid SCHEMBL3612162 0.90 SLC2A1 (0.52) MELKSLC2A1F2PLGPLAU
Hydrochloric Acid SCHEMBL3616292 0.89 SLC2A1 (0.50) MELKSLC2A1F2PLGPLAU
SCHEMBL13504916 0.89 LMNA (0.56) MELKSLC2A1F2PLGPLAU
SCHEMBL3608431 0.89 NAMPT (0.56) MELKNAMPTLMNAALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL3611947 0.88 LMNA (0.56) MELKSLC2A1F2PLGPLAU
SCHEMBL3593878 0.84 SCD5 (0.47) MELKSLC2A1F2PLGPLAU
SCHEMBL28778476 0.80 MELK (0.90) MELKSLC2A1F2PLGPLAU

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
US-20100041696-A1 Compounds SMITHKLINE BEECHAM CORPORATION 2010-02-18 US claimed
US-20100041696-A1 Compounds SMITHKLINE BEECHAM CORPORATION 2010-02-18 US disclosed
EP-2144895-A2 ISOQUINOLINECARBOXAMIDES AS INHIBITORS OF STEAROYL-COA DESATURASE (SCD) SmithKline Beecham Corporation (US) 2010-01-20 EP disclosed
WO-2008074824-A2 ISOQUINOLINECARBOXAMIDES AS INHIBITORS OF STEAROYL-COA DESATURASE (SCD) SMITHKLINE BEECHAM CORPORATION (US) 2008-06-26 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-20100041696-A1 Compounds CYP11B2, SCD, CYP3A5 MELK 3095/4885SLC2A1 1415/4885F2 1314/4885

“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.