SCHEMBL3611038

SCHEMBL3611038

Cc1c(C(=O)Nc2ccc3c(c2)CCNC3)cnn1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.47
USP28 Q96RU2 1/20 0.46
FSCN1 Q16658 2/20 0.44
BLM P54132 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
BPTF Q12830 1/20 0.42
SLC2A1 P11166 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GBA1 P04062 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
F2 P00734 1/20 0.41
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
PLAT P00750 1/20 0.41
KLKB1 P03952 1/20 0.41
PRSS1 P07477 1/20 0.41
CLK2 P49760 1/20 0.41
CLK3 P49761 1/20 0.41

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 SCHEMBL3602662 0.99 PTGDR2 (0.47) PTGDR2USP28FSCN1BLMRAB9A
SCHEMBL13504961 0.89 USP28 (0.44) PTGDR2USP28FSCN1BLMSMN1; SMN2
Hydrochloric Acid SCHEMBL3608023 0.88 USP28 (0.43) PTGDR2USP28FSCN1BLMSMN1; SMN2
Hydrochloric Acid SCHEMBL3591953 0.82 USP28 (0.45) PTGDR2USP28FSCN1RAB9ASMN1; SMN2
SCHEMBL13504916 0.80 LMNA (0.56) USP28FSCN1SMN1; SMN2SLC2A1ALDH1A1
Hydrochloric Acid SCHEMBL3611947 0.80 LMNA (0.56) USP28FSCN1SMN1; SMN2SLC2A1ALDH1A1
SCHEMBL3940196 0.79 S1PR1 (0.43) PTGDR2USP28BLMRAB9ASMN1; SMN2
SCHEMBL3600668 0.79 ESR2 (0.46) PTGDR2FSCN1BLMRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL3939653 0.79 S1PR1 (0.42) PTGDR2USP28BLMRAB9ASMN1; SMN2
SCHEMBL13504973 0.79 NR1H4 (0.45) USP28FSCN1SMN1; SMN2SLC2A1MAPT

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
EP-2144895-A2 ISOQUINOLINECARBOXAMIDES AS INHIBITORS OF STEAROYL-COA DESATURASE (SCD) SmithKline Beecham Corporation (US) 2010-01-20 EP claimed
WO-2008074824-A2 ISOQUINOLINECARBOXAMIDES AS INHIBITORS OF STEAROYL-COA DESATURASE (SCD) SMITHKLINE BEECHAM CORPORATION (US) 2008-06-26 WO claimed
US-20100041696-A1 Compounds SMITHKLINE BEECHAM CORPORATION 2010-02-18 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-20100041696-A1 Compounds CYP11B2, SCD, CYP3A5 PTGDR2 911/4885USP28 4869/4885FSCN1 4704/4885

“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.