SCHEMBL3531980

SCHEMBL3531980

O=C(O)c1ccc(-n2ccnc2)c(C(F)(F)F)c1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADH5 P11766 11/20 0.66
ALDH1A1 P00352 2/20 0.56
CYP3A4 P08684 2/20 0.56
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
MAPT P10636 1/20 0.56
CYP2C9 P11712 1/20 0.56
MAPK1 P28482 1/20 0.56
CYP2C19 P33261 1/20 0.56
PMP22 Q01453 1/20 0.56
KMT2A Q03164 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
CYP4Z1 Q86W10 1/20 0.43
ABL1 P00519 1/20 0.42
BAZ2B Q9UIF8 1/20 0.42

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
SCHEMBL3972148 0.82 CYP1A2 (0.49) ADH5ALDH1A1CYP3A4MEN1LMNA
SCHEMBL27635758 0.81 TTR (0.47) ADH5ALDH1A1CYP2C9
SCHEMBL7079970 0.80 CYP1A2 (0.47) ADH5ALDH1A1CYP3A4MEN1LMNA
SCHEMBL3972141 0.80 CYP3A4 (0.47) ADH5ALDH1A1CYP3A4MEN1LMNA
Hydrochloric Acid SCHEMBL7082587 0.80 CYP1A2 (0.46) ADH5ALDH1A1CYP3A4MEN1LMNA
SCHEMBL27997681 0.79 ADH5 (0.46) ADH5ALDH1A1CYP3A4MEN1LMNA
SCHEMBL3974651 0.78 ALDH1A1 (0.44) ADH5ALDH1A1CYP3A4MEN1LMNA
Hydrochloric Acid SCHEMBL3971651 0.77 ALDH1A1 (0.43) ADH5ALDH1A1CYP3A4MEN1LMNA
SCHEMBL994454 0.77 CYP1A2 (0.62) ADH5ALDH1A1CYP3A4MEN1LMNA
SCHEMBL28267134 0.77 ADH5 (0.55) ADH5CYP3A4CYP4Z1BAZ2B

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 7 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
CN-100404528-C Novel pyrimidinamine derivatives and use thereof NOVARTIS AG (CH) 2008-07-23 CN 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
CN-1684951-A Novel pyrimidinamine derivatives and use thereof NOVARTIS AG (CH) 2005-10-19 CN 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 ADH5 3356/4885ALDH1A1 2875/4885CYP3A4 3088/4885

“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.