SCHEMBL1040004

SCHEMBL1040004

Cc1cn(-c2ccc(NC(N)=S)cc2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP19A1 P11511 1/20 0.46
ALDH1A1 P00352 3/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
EP300 Q09472 1/20 0.42
CYP2E1 P05181 1/20 0.42
CYP2A6 P11509 1/20 0.42
MAPK13 O15264 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
SCHEMBL1617403 0.78 PSEN1 (0.44) CYP1A2ALDH1A1GAAMAPTKDM4E
SCHEMBL1617435 0.78 PSEN1 (0.45) CYP1A2KDM4EPSEN1PSEN2APH1B
SCHEMBL27985278 0.78 CYP1A2 (0.65) PTK2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1450033 0.77 PTK2 (0.56) PTK2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL962517 0.76 PSEN1 (0.57) CYP3A4PSEN1PSEN2APH1BNCSTN
SCHEMBL1039865 0.75 PSEN1 (0.47) CYP1A2NR2E1KDM4EPSEN1PSEN2
SCHEMBL1041288 0.73 PSEN1 (0.46) CYP3A4PSEN1PSEN2APH1BNCSTN
SCHEMBL264998 0.73 CYP1A2 (0.56) PTK2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL12988609 0.73 CYP3A4 (0.56) PTK2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3712352 0.73 PDE4A (0.58) PTK2CYP3A4CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101910142-B Modulators for beta-amyloid HOFFMANN LA ROCHE 2013-07-10 CN disclosed
CN-101675045-B Hetarylanilines as modulators for amyloid beta HOFFMANN LA ROCHE 2012-11-28 CN disclosed
WO-2012030952-A3 REDUCING RIPPLE CURRENT IN A SWITCHED-MODE POWER CONVERTER EMPLOYING A BRIDGE TOPOLOGY TEXAS INSTRUMENTS INCORPORATED (US) 2012-05-10 WO disclosed
EP-2231629-B1 MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2011-11-30 EP disclosed
US-7923450-B2 Modulators for amyloid beta HOFFMANN-LA ROCHE INC. (US) 2011-04-12 US disclosed
US-7910740-B2 Modulators of amyloid beta HOFFMANN-LA ROCHE INC. (US) 2011-03-22 US disclosed
EP-2155740-B1 HETARYLANILINES AS MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2011-01-26 EP disclosed
CN-101910142-A The conditioning agent of amyloid beta HOFFMANN LA ROCHE 2010-12-08 CN disclosed
EP-2231629-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-09-29 EP disclosed
CN-101675045-A Hetarylanilines as modulators for amyloid beta HOFFMANN LA ROCHE 2010-03-17 CN disclosed
EP-2155740-A1 HETARYLANILINES AS MODULATORS FOR AMYLOID BETA F. Hoffmann-Roche AG (CH) 2010-02-24 EP disclosed
WO-2009087127-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-07-16 WO disclosed
US-20090181965-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-07-16 US disclosed
WO-2008138753-A1 HETARYLANILINES AS MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2008-11-20 WO disclosed
US-20080280948-A1 MODULATORS OF AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2008-11-13 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 (2 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-20090181965-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, BACE1 PTK2 3473/4885CYP3A4 4634/4885CYP2D6 3751/4885
US-20080280948-A1 MODULATORS OF AMYLOID BETA APP, BACE1, BACE2 PTK2 2222/4885CYP3A4 531/4885CYP2D6 878/4885

“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.