SCHEMBL4287610

SCHEMBL4287610

CC(C)N1CCN(Cc2c(F)cc(Br)cc2F)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
CHKA P35790 1/20 0.39
HTR7 P34969 1/20 0.38
HRH3 Q9Y5N1 8/20 0.37
PDE2A O00408 1/20 0.37
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
SOS1 Q07889 1/20 0.35
DDR1 Q08345 2/20 0.35
ACHE P22303 1/20 0.35
GFER P55789 1/20 0.35

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 0.81 CHKA (0.55) KDM4EALDH1A1TDP1CHKAPDE2A
SCHEMBL3397376 0.81 GFER (0.51) KDM4EALDH1A1CHKAPDE2APOLB
SCHEMBL19211675 0.81 CHKA (0.40) KDM4EALDH1A1TDP1CHKAHRH3
SCHEMBL20680179 0.80 KDM4E (0.45) KDM4EALDH1A1TDP1HTR7POLB
SCHEMBL18704978 0.80 ALDH1A1 (0.57) KDM4EALDH1A1TDP1POLBTSHR
SCHEMBL2106701 0.79 ALDH1A1 (0.46) KDM4EALDH1A1TDP1CHKAHRH3
SCHEMBL1427472 0.78 ALDH1A1 (0.49) KDM4EALDH1A1TDP1CHKAHRH3
SCHEMBL4296929 0.76 L3MBTL1 (0.51) KDM4EALDH1A1TDP1HRH3
SCHEMBL19211650 0.75 ACHE (0.41) KDM4EALDH1A1TDP1HRH3SOS1
SCHEMBL4048591 0.75 KDM4E (0.55) KDM4EALDH1A1TDP1POLB

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 KDM4E 1741/4885ALDH1A1 1389/4885TDP1 1871/4885

“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.