SCHEMBL4289837

SCHEMBL4289837

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHKA P35790 2/20 0.55
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 4/20 0.48
MAPT P10636 2/20 0.48
GAA P10253 1/20 0.47
TDP1 Q9NUW8 1/20 0.44
MC4R P32245 1/20 0.42
LMNA P02545 1/20 0.40
MPO P05164 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
PDE2A O00408 1/20 0.39
HTR6 P50406 2/20 0.38

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
SCHEMBL3397376 0.86 GFER (0.51) CHKAKDM4EALDH1A1MAPTGAA
SCHEMBL2106701 0.83 ALDH1A1 (0.46) CHKAKDM4EALDH1A1MAPTTDP1
SCHEMBL1427472 0.81 ALDH1A1 (0.49) CHKAKDM4EALDH1A1MAPTTDP1
SCHEMBL4287610 0.81 KDM4E (0.39) CHKAKDM4EALDH1A1TDP1POLB
SCHEMBL4296929 0.80 L3MBTL1 (0.51) KDM4EALDH1A1TDP1
SCHEMBL2574046 0.79 KMT2A (0.42) CHKAKDM4EALDH1A1LMNAPOLB
SCHEMBL2800744 0.79 CYP2A13 (0.51) KDM4EALDH1A1MAPTTSHR
SCHEMBL4048591 0.79 KDM4E (0.55) KDM4EALDH1A1GAATDP1POLB
SCHEMBL20680180 0.78 HTR6 (0.49) KDM4EALDH1A1MAPTGAATDP1
SCHEMBL4293427 0.78 MBTD1 (0.41) CHKAKDM4EALDH1A1POLBTSHR

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 CHKA 1139/4885KDM4E 1741/4885ALDH1A1 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.