SCHEMBL3602632

SCHEMBL3602632

O=C(Nc1cnn(Cc2ccccc2Cl)c1)c1ccc2c(c1)CCNC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 1/20 0.51
NAMPT P43490 3/20 0.47
MAPT P10636 4/20 0.47
POLB P06746 2/20 0.47
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 3/20 0.45
RPS6KA2 Q15349 2/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
CYP3A4 P08684 1/20 0.44
WNT1 P04628 1/20 0.44
GSK3B P49841 1/20 0.44
DYRK1A Q13627 1/20 0.44
F2 P00734 1/20 0.44
PLG P00747 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
SCHEMBL3608032 0.90 MEN1 (0.55) NAMPTMAPTPOLBALDH1A1MEN1
SCHEMBL3602730 0.89 RPS6KA2 (0.57) NAMPTMAPTPOLBALDH1A1MEN1
SCHEMBL13504884 0.89 NAMPT (0.60) SCD5NAMPTALDH1A1RPS6KA2RPS6KA3
Hydrochloric Acid SCHEMBL3612494 0.88 NAMPT (0.59) SCD5NAMPTALDH1A1RPS6KA2RPS6KA3
SCHEMBL3603305 0.88 F2 (0.47) NAMPTALDH1A1KMT2ARPS6KA2WNT1
SCHEMBL13504959 0.87 SCD5 (0.52) SCD5NAMPTRPS6KA2WNT1GSK3B
Hydrochloric Acid SCHEMBL3609045 0.87 F2 (0.46) NAMPTALDH1A1KMT2ARPS6KA2WNT1
Hydrochloric Acid SCHEMBL3606790 0.86 SCD5 (0.51) SCD5NAMPTRPS6KA2WNT1GSK3B
SCHEMBL3602522 0.86 SMN1; SMN2 (0.60) NAMPTMAPTMEN1KMT2AKDM4E
SCHEMBL3613929 0.85 SMN1; SMN2 (0.59) SCD5NAMPTMAPTALDH1A1MEN1

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
US-20100041696-A1 Compounds SMITHKLINE BEECHAM CORPORATION 2010-02-18 US claimed
US-20100041696-A1 Compounds SMITHKLINE BEECHAM CORPORATION 2010-02-18 US disclosed
US-20100041696-A1 Compounds SMITHKLINE BEECHAM CORPORATION 2010-02-18 US disclosed
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 SCD5 4/4885NAMPT 869/4885MAPT 3377/4885

“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.