SCHEMBL4291641

SCHEMBL4291641

CN1CCN(Cc2c(F)cc(Br)cc2F)CC1=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.44
DPP4 P27487 1/20 0.38
COMT P21964 2/20 0.37
CHKA P35790 1/20 0.36
P2RX7 Q99572 5/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PDE2A O00408 1/20 0.35
PDE7B Q9NP56 1/20 0.33
PARP1 P09874 2/20 0.33
SLC2A1 P11166 1/20 0.33
TLR7 Q9NYK1 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
FPR3 P25089 1/20 0.32
FPR2 P25090 1/20 0.32

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
SCHEMBL4289837 0.78 CHKA (0.55) CHKAKDM4EALDH1A1PDE2A
SCHEMBL2802324 0.77 KDM4E (0.40) DPP4COMTKDM4EALDH1A1PARP1
SCHEMBL3397376 0.74 GFER (0.51) CHKAKDM4EALDH1A1PDE2A
SCHEMBL4296929 0.73 L3MBTL1 (0.51) PIK3CDKDM4EALDH1A1
SCHEMBL2106701 0.72 ALDH1A1 (0.46) CHKAKDM4EALDH1A1PDE2AFPR3
SCHEMBL4287610 0.71 KDM4E (0.39) CHKAKDM4EALDH1A1PDE2A
SCHEMBL18609944 0.71 PIK3CD (0.70) PIK3CDDPP4P2RX7PARP1SLC2A1
SCHEMBL1427472 0.71 ALDH1A1 (0.49) CHKAKDM4EALDH1A1PDE2A
SCHEMBL26133752 0.70 NR1H2 (0.45) PIK3CDDPP4COMTKDM4EALDH1A1
SCHEMBL26133559 0.70 TLR7 (0.42) PIK3CDDPP4CHKAALDH1A1PARP1

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 PIK3CD 400/4885DPP4 2887/4885COMT 1052/4885

“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.