SCHEMBL4283976

SCHEMBL4283976

CC1CN(Cc2c(F)cc(Br)cc2F)CC(C)O1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP2A13 Q16696 1/20 0.43
HTT P42858 3/20 0.42
GAA P10253 2/20 0.41
LMNA P02545 1/20 0.41
PDE2A O00408 1/20 0.39
TSHR P16473 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 2/20 0.38
KMT2A Q03164 2/20 0.38
GLA P06280 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
EED O75530 1/20 0.38
ATM Q13315 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL4283973 1.00 KDM4E (0.43) KDM4ETDP1CYP2A13HTTGAA
SCHEMBL3402547 0.81 PDE2A (0.32) KDM4ETDP1CYP2A13HTTGAA
SCHEMBL3402549 0.81 PDE2A (0.32) KDM4ETDP1CYP2A13HTTGAA
SCHEMBL1427258 0.80 KDM4E (0.54) KDM4ETDP1CYP2A13HTTLMNA
SCHEMBL29390752 0.80 KDM4E (0.54) KDM4ETDP1CYP2A13HTTLMNA
SCHEMBL1896256 0.80 KDM4E (0.54) KDM4ETDP1CYP2A13HTTLMNA
SCHEMBL3399395 0.77 PDE2A (0.39) KDM4EPDE2AALDH1A1EED
SCHEMBL10211531 0.72 GAA (0.49) KDM4ETDP1CYP2A13HTTGAA
SCHEMBL2106701 0.72 ALDH1A1 (0.46) KDM4ETDP1HTTPDE2ATSHR
SCHEMBL9163392 0.71 KDM4E (0.53) KDM4ETDP1CYP2A13HTTGAA

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 1741/4885TDP1 1871/4885CYP2A13 770/4885

“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.