SCHEMBL4296929

SCHEMBL4296929

CC(=O)N1CCN(Cc2c(F)cc(Br)cc2F)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
HRH3 Q9Y5N1 2/20 0.50
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 1/20 0.49
RORC P51449 1/20 0.48
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ATM Q13315 1/20 0.43
ALOX15 P16050 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GPR183 P32249 1/20 0.41
PIK3CD O00329 1/20 0.41
USP2 O75604 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL3397520 0.92 L3MBTL1 (0.48) L3MBTL1HRH3ALDH1A1KDM4ERORC
SCHEMBL4289837 0.80 CHKA (0.55) ALDH1A1KDM4ETDP1
SCHEMBL3397376 0.80 GFER (0.51) ALDH1A1KDM4EMEN1KMT2AGPR183
SCHEMBL2106701 0.78 ALDH1A1 (0.46) HRH3ALDH1A1KDM4EMEN1KMT2A
SCHEMBL17422248 0.78 MEN1 (0.50) ALDH1A1KDM4EMEN1KMT2AALOX15
SCHEMBL1427472 0.76 ALDH1A1 (0.49) HRH3ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4287610 0.76 KDM4E (0.39) HRH3ALDH1A1KDM4ETDP1
SCHEMBL2574046 0.74 KMT2A (0.42) ALDH1A1KDM4EMEN1KMT2ACYP1A2
SCHEMBL5539795 0.74 HRH3 (0.53) L3MBTL1HRH3ALDH1A1KDM4ERORC
SCHEMBL1927730 0.74 HRH3 (0.76) L3MBTL1HRH3ALDH1A1RORCMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420657-B2 Pyrrolo[2,3-D]pyrimidines and use thereof as tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-04-16 US disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 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-20090203688-A1 HETEROCYCLIC COMPOUNDS ABL1, JAK2, JAK1 L3MBTL1 3749/4885HRH3 2278/4885ALDH1A1 1389/4885

“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.