SCHEMBL9904375

SCHEMBL9904375

Fc1cccc(F)c1-c1ccc2c(c1)c(Br)nn2C1CCCCO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.38
CYP4A11 Q02928 3/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
GSK3B P49841 2/20 0.36
ATR Q13535 4/20 0.33
ESR1 P03372 2/20 0.33
KCNH2 Q12809 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK14 Q16539 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ABL1 P00519 1/20 0.32
PRKAB2 O43741 1/20 0.31
PRKAG1 P54619 1/20 0.31
PRKAA2 P54646 1/20 0.31
PRKAA1 Q13131 1/20 0.31

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
SCHEMBL9904365 0.87 CYP4F2 (0.38) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30182911 0.81 MAPT (0.38) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL5377785 0.80 ATM (0.36) RXRARXRBRXRGLMNAMAPT
SCHEMBL4084909 0.80 RXRA (0.36) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL20030949 0.79 RXRA (0.36) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL22160453 0.79 CYP4F2 (0.39) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30950223 0.79 CYP4F2 (0.39) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL28348643 0.79 ESR1 (0.42) CYP4F2CYP4A11ATRESR1LMNA
SCHEMBL31319478 0.78 PIM1 (0.37) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL1513052 0.78 MAP3K5 (0.37) CYP4F2CYP4A11RXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090593-B2 Bicyclic compounds as Pim inhibitors AMGEN INC. (US) 2015-07-28 US disclosed
US-9090593-B2 Bicyclic compounds as Pim inhibitors AMGEN INC. (US) 2015-07-28 US disclosed
US-20140031360-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2014-01-30 US disclosed
US-20140031360-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2014-01-30 US disclosed
EP-2649065-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2013-10-16 EP disclosed
WO-2012078777-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-06-14 WO 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-20140031360-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS PIM1, PIM2, PIM3 CYP4F2 3269/4885CYP4A11 2634/4885RXRA 4266/4885

“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.