SCHEMBL3606843

SCHEMBL3606843

Nc1cnn(Cc2cccc3ccccc23)c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.63
ALDH1A1 P00352 2/20 0.63
PKM P14618 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
HSP90AB1 P08238 3/20 0.50
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.44
CA2 P00918 1/20 0.43
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
AADAT Q8N5Z0 1/20 0.42
HTT P42858 1/20 0.40
KLKB1 P03952 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL3602663 0.80 L3MBTL1 (0.47) PKML3MBTL1HSP90AB1KMT2ALMNA
SCHEMBL3611045 0.79 ALDH1A1 (0.69) MAPTALDH1A1PKML3MBTL1KMT2A
SCHEMBL14699297 0.78 MAPT (0.55) MAPTALDH1A1PKML3MBTL1KMT2A
SCHEMBL18586270 0.78 HSP90AB1 (0.47) MAPTALDH1A1PKML3MBTL1HSP90AB1
SCHEMBL1703663 0.78 ALDH1A1 (0.67) MAPTALDH1A1PKML3MBTL1KMT2A
SCHEMBL15520765 0.78 ALDH1A1 (1.00) MAPTALDH1A1PKML3MBTL1KMT2A
SCHEMBL18617221 0.75 MPO (0.51) MAPTALDH1A1PKML3MBTL1HSP90AB1
SCHEMBL21523721 0.74 MAPT (0.61) MAPTALDH1A1PKML3MBTL1KMT2A
SCHEMBL21523663 0.74 ALDH1A1 (0.66) MAPTALDH1A1PKML3MBTL1KMT2A
SCHEMBL3606815 0.74 MAPT (0.46) MAPTALDH1A1PKML3MBTL1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPT 3377/4885ALDH1A1 430/4885PKM 227/4885

“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.