SCHEMBL3753370

SCHEMBL3753370

Cc1cncn1-c1ccc(N)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
MAPT P10636 6/20 0.41
LMNA P02545 2/20 0.41
FGFR1 P11362 1/20 0.37
PTK2 Q05397 1/20 0.37
ACHE P22303 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
RECQL P46063 1/20 0.35
GAA P10253 1/20 0.34
ADRA2C P18825 1/20 0.34
GFER P55789 1/20 0.34

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
SCHEMBL25442241 0.81 CYP3A4 (0.51) CYP3A4CYP2D6CYP2C9MAOAMAOB
SCHEMBL11380013 0.80 CYP3A4 (0.54) CYP3A4CYP2D6CYP2C9MKNK1MKNK2
SCHEMBL18500656 0.80 CYP3A4 (0.54) CYP3A4CYP2D6CYP2C9MAOAMAOB
SCHEMBL3272205 0.79 CYP3A4 (0.53) CYP3A4CYP2D6CYP2C9MAOAMAOB
SCHEMBL25442765 0.77 CYP3A4 (0.59) CYP3A4CYP2D6CYP2C9MAOAMAOB
SCHEMBL1830566 0.73 CYP3A4 (0.44) CYP3A4CYP2D6CYP2C9MAOAMAOB
SCHEMBL10175044 0.73 CYP3A4 (0.44) CYP3A4CYP2D6CYP2C9MAOAMAOB
SCHEMBL1898595 0.73 KMT2A (0.54) CYP3A4CYP2D6CYP2C9MAPTACHE
SCHEMBL1823579 0.72 CYP3A4 (0.40) CYP3A4CYP2D6CYP2C9MAOAMAOB
SCHEMBL3607993 0.72 CYP2A6 (0.55) CYP3A4CYP2D6CYP2C9MAOAMAOB

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
WO-2010132015-A1 NEW COMPOUNDS MODULATING GAMMA-SECRETASE AND THEIR USE IN THE TREATMENT OF ALPHA BETA RELATED PATHOLOGIES, SUCH AS ALZHEIMER'S DISEASE ASTRAZENECA AB (SE) 2010-11-18 WO disclosed
US-20100292210-A1 Novel Compounds for A-Beta-Related Pathologies ASTRAZENECA AB (SE) 2010-11-18 US disclosed
EP-0991625-B1 INHIBITORS OF FACTOR XA WITH A NEUTRAL P1 SPECIFICITY GROUP BRISTOL MYERS SQUIBB PHARMA CO (US) 2005-06-01 EP disclosed
US-6602895-B2 Inhibitors of factor Xa with a neutral P1 specificity group BRISTOL-MYERS SQUIBB COMPANY 2003-08-05 US disclosed
US-20030092740-A1 Inhibitors of factor Xa with a neutral P1 specificity group GALEMMO ROBERT A (US) 2003-05-15 US disclosed
US-6403620-B1 ANTICOAGULANT AGENTS FOR TREATMENT AND PREVENTION OF THROMBOEMBOLIC DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-06-11 US disclosed
EP-0991625-A2 INHIBITORS OF FACTOR XA WITH A NEUTRAL P1 SPECIFICITY GROUP THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 2000-04-12 EP disclosed
US-5998424-A ANTICOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 1999-12-07 US disclosed
WO-1998057937-A2 INHIBITORS OF FACTOR XA WITH A NEUTRAL P1 SPECIFICITY GROUP THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-12-23 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 (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-20100292210-A1 Novel Compounds for A-Beta-Related Pathologies BACE1, APP, BACE2 CYP3A4 3682/4885CYP2D6 4320/4885CYP2C9 4314/4885
US-20030092740-A1 Inhibitors of factor Xa with a neutral P1 specificity group F12, F11, SERPINC1 CYP3A4 1974/4885CYP2D6 1888/4885CYP2C9 1021/4885

“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.