SCHEMBL3529026

SCHEMBL3529026

Cc1cn(-c2ccc(C(=O)O)cc2C(F)(F)F)c(C)n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.41
RBP4 P02753 2/20 0.40
RARB P10826 1/20 0.39
RORC P51449 6/20 0.39
CYP2C9 P11712 2/20 0.39
MYC P01106 2/20 0.38
ESR1 P03372 1/20 0.38
ALOX15 P16050 1/20 0.38
PTPN7 P35236 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ADH5 P11766 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SORT1 Q99523 1/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL3528958 0.79 KDM4E (0.51) TTRRARBRORCCYP2C9MYC
SCHEMBL1929432 0.78 POLB (0.42) ALOX15HSD17B10SMN1; SMN2
SCHEMBL3530849 0.76 NR2E1 (0.45) TTRADH5
SCHEMBL5111436 0.71 RORC (0.39) TTRRORCMYCESR1ALOX15
SCHEMBL5100509 0.71 TTR (0.41) TTRRBP4RORCMYCESR1
SCHEMBL374174 0.70 TAS2R14 (0.50) TTRRARBMYCESR1ALOX15
SCHEMBL29528380 0.70 TAS2R14 (0.50) TTRRARBMYCESR1ALOX15
SCHEMBL27635758 0.70 TTR (0.47) TTRRORCCYP2C9ADH5
SCHEMBL31309600 0.70 GRM5 (0.37) TTRRBP4RARBSORT1
SCHEMBL15974524 0.70 KDM4C (0.54)

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 TTR 3121/4885RBP4 3882/4885RARB 2170/4885

“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.