SCHEMBL4140643

SCHEMBL4140643

N=NC1NCc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.38
CYP3A4 P08684 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR2A P28223 1/20 0.38
DRD1 P21728 4/20 0.36
DRD2 P14416 3/20 0.36
DRD4 P21917 3/20 0.36
TP53 P04637 2/20 0.36
CYP1A2 P05177 2/20 0.36
MAPK1 P28482 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL9009806 0.82 HTR2A (0.40) CYP2D6CYP3A4MEN1KMT2AHTR2A
SCHEMBL11244832 0.77 DRD1 (0.38) CYP2D6CYP3A4MEN1KMT2AHTR2A
SCHEMBL1383327 0.76 CYP2D6 (0.35) CYP2D6CYP3A4MEN1KMT2AHTR2A
SCHEMBL29199033 0.76 CYP2D6 (0.35) CYP2D6CYP3A4MEN1KMT2AHTR2A
SCHEMBL10920895 0.76 HTR2A (0.38) CYP2D6CYP3A4HTR2ADRD1DRD2
SCHEMBL10516405 0.72 CYP2D6 (0.41) CYP2D6CYP3A4MEN1KMT2ADRD1
SCHEMBL3102671 0.72 CYP2D6 (0.41) CYP2D6CYP3A4MEN1KMT2ADRD1
Hydrochloric Acid SCHEMBL9938976 0.71 MAPT (0.42) CYP2D6CYP3A4MEN1KMT2ADRD1
SCHEMBL7257552 0.68 CYP2D6 (0.41) CYP2D6CYP3A4MEN1KMT2ADRD1
SCHEMBL6702423 0.68 PNMT (0.42) CYP2D6CYP3A4MEN1KMT2ADRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090189086-A1 USE OF ARYL-OR ALKYLOXY-SUBSTITUTED PHTHALOCYANINES AS MARKING SUBSTANCES FOR LIQUIDS BASF SE (DE) 2009-07-30 US claimed
EP-1996549-A1 USE OF ARYL- OR ALKYLOXY-SUBSTITUTED PHTHALOCYANINES AS MARKING SUBSTANCES FOR LIQUIDS BASF SE (DE) 2008-12-03 EP claimed
WO-2007104685-A1 USE OF ARYL- OR ALKYLOXY-SUBSTITUTED PHTHALOCYANINES AS MARKING SUBSTANCES FOR LIQUIDS BASF SE (DE) 2007-09-20 WO claimed
US-5484901-A PRINTING INKS, COATINGS, PLASTICS; AZO AND LAKE DYES BASF AKTIENGESELLSCHAFT (DE) 1996-01-16 US claimed
JP-7258565-A None JP disclosed
EP-1996549-A1 USE OF ARYL- OR ALKYLOXY-SUBSTITUTED PHTHALOCYANINES AS MARKING SUBSTANCES FOR LIQUIDS BASF SE (DE) 2008-12-03 EP disclosed
WO-2007104685-A1 USE OF ARYL- OR ALKYLOXY-SUBSTITUTED PHTHALOCYANINES AS MARKING SUBSTANCES FOR LIQUIDS BASF SE (DE) 2007-09-20 WO disclosed
US-5484901-A PRINTING INKS, COATINGS, PLASTICS; AZO AND LAKE DYES BASF AKTIENGESELLSCHAFT (DE) 1996-01-16 US disclosed
JP-H07258565-A ISOINDOLINEAZO PIGMENT BASF AG 1995-10-09 JP 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-20090189086-A1 USE OF ARYL-OR ALKYLOXY-SUBSTITUTED PHTHALOCYANINES AS MARKING SUBSTANCES FOR LIQUIDS FABP4, MKI67, FABP1 CYP2D6 585/4885CYP3A4 511/4885MEN1 1177/4885

“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.