SCHEMBL3526697

SCHEMBL3526697

Cc1cn(-c2ccc(C#N)cc2C(F)(F)F)cn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 11/20 0.40
PSEN2 P49810 11/20 0.40
APH1B Q8WW43 11/20 0.40
NCSTN Q92542 11/20 0.40
APH1A Q96BI3 11/20 0.40
PSENEN Q9NZ42 11/20 0.40
NR2E1 Q9Y466 2/20 0.40
CRHR1 P34998 1/20 0.40
TRPV4 Q9HBA0 1/20 0.40
PDE3B Q13370 1/20 0.38
USP30 Q70CQ3 1/20 0.37
GRM5 P41594 1/20 0.37
CYP2C8 P10632 2/20 0.37
MAPKAPK2 P49137 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
SCHEMBL1457885 0.82 USP30 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16255769 0.81 NR2E1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1927286 0.79 NR2E1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22704434 0.79 NR2E1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12139688 0.78 NR2E1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12141129 0.77 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL757546 0.77 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3531599 0.76 CRHR1 (0.40) CRHR1TRPV4GRM5MAPKAPK2
SCHEMBL2827107 0.76 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12825162 0.76 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7655669-B2 Pyrimidineamide derivatives and the use thereof NOVARTIS AG (CH) 2010-02-02 US disclosed
EP-1546127-B1 NOVEL PYRIMIDINEAMIDE DERIVATIVES AND THE USE THEREOF NOVARTIS AG (CH) 2007-08-08 EP disclosed
US-20060142577-A1 Novel pyrimidineamide derivatives and the use thereof NOVARTIS AG (CH) 2006-06-29 US disclosed
EP-1546127-A1 NOVEL PYRIMIDINEAMIDE DERIVATIVES AND THE USE THEREOF Novartis AG (CH) 2005-06-29 EP disclosed
WO-2004029038-A1 NOVEL PYRIMIDINEAMIDE DERIVATIVES AND THE USE THEREOF NOVARTIS AG (CH) 2004-04-08 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-20060142577-A1 Novel pyrimidineamide derivatives and the use thereof TYMP, NME2, DPYD PSEN1 2322/4885PSEN2 1401/4885APH1B 2822/4885

“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.