SCHEMBL15979558

SCHEMBL15979558

CC(C)(C)c1ccc(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 8/20 0.47
NR1H4 Q96RI1 7/20 0.42
PPARG P37231 5/20 0.42
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PPARA Q07869 3/20 0.40
PPARD Q03181 1/20 0.40
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39
DHPS P49366 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL16343945 0.89 LIPE (0.47) LIPENR1H4PPARGNPC1ALDH1A1
SCHEMBL15964508 0.83 LIPE (0.47) LIPENR1H4PPARGNPC1ALDH1A1
SCHEMBL17012560 0.83 LIPE (0.34) LIPE
SCHEMBL3720444 0.79 LIPE (0.46) LIPENPC1ALDH1A1RAB9AMAPT
SCHEMBL15956659 0.79 LIPE (0.43) LIPEMAPTDHPSCA1CA2
SCHEMBL3705786 0.78 LIPE (0.42) LIPE
SCHEMBL3872642 0.77 LIPE (0.44) LIPENR1H4PPARGMAPTDHPS
SCHEMBL15957110 0.77 LIPE (0.45) LIPENR1H4MAPTRECQLDHPS
SCHEMBL104612 0.76 RAB9A (0.54) LIPENR1H4PPARGNPC1ALDH1A1
SCHEMBL29709477 0.76 RAB9A (0.54) LIPENR1H4PPARGNPC1ALDH1A1

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-9233111-B2 Pyrrolo pyrimidine derivatives NOVARTIS AG (CH) 2016-01-12 US disclosed
US-9233111-B2 Pyrrolo pyrimidine derivatives NOVARTIS AG (CH) 2016-01-12 US disclosed
EP-2729466-B1 NOVEL PYRROLO PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2015-08-19 EP disclosed
US-20140243306-A1 NOVEL PYRROLO PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2014-08-28 US disclosed
US-20140243306-A1 NOVEL PYRROLO PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2014-08-28 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 (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-20140243306-A1 NOVEL PYRROLO PYRIMIDINE DERIVATIVES BTK, LCK, ZAP70 LIPE 4738/4885NR1H4 2847/4885PPARG 2356/4885

“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.