SCHEMBL21283411

SCHEMBL21283411

CC[C@@H](C)[C@@H](O)Cn1ccc2c(N[C@H]3CCc4c(F)ccc(F)c43)ncnc21

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.32
▸ CYP2C8 P10632 2/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ PRMT5 O14744 3/20 0.31
▸ WDR77 Q9BQA1 3/20 0.31
▸ SCN9A Q15858 1/20 0.31
▸ BMPR1B O00238 1/20 0.30
▸ BMPR1A P36894 1/20 0.30
▸ ACVR1B P36896 1/20 0.30
▸ TGFBR1 P36897 1/20 0.30
▸ ACVRL1 P37023 1/20 0.30
▸ ACVR1 Q04771 1/20 0.30
▸ NAE1 Q13564 2/20 0.30
▸ CA2 P00918 2/20 0.30
▸ ABL1 P00519 1/20 0.30
▸ BCR P11274 1/20 0.30
▸ GRK5 P34947 1/20 0.30
▸ CSNK1A1 P48729 1/20 0.30
▸ UBA6 A0AVT1 1/20 0.30
▸ NEDD8 Q15843 1/20 0.30

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
SCHEMBL21283356 0.88 NAE1 (0.35) PRMT5SCN9ABMPR1BACVR1BTGFBR1
SCHEMBL21283375 0.88 NAE1 (0.35) SCN9ABMPR1BACVR1BTGFBR1ACVRL1
SCHEMBL21283355 0.81 NAE1 (0.35) PRMT5WDR77SCN9ANAE1CA2
SCHEMBL21283412 0.81 NAE1 (0.35) PRMT5WDR77SCN9ANAE1CA2
SCHEMBL21283393 0.71 AURKA (0.45) CYP2C9PRMT5WDR77SCN9ANAE1
SCHEMBL21283376 0.70 EGFR (0.40) NAE1CA2GRK5CSNK1A1UBA6
SCHEMBL21283361 0.69 CRHR1 (0.39) NAE1CA2GRK5CSNK1A1UBA6
SCHEMBL17865935 0.67 NAE1 (0.55) CYP2C8PRMT5WDR77NAE1CA2
SCHEMBL21283385 0.66 NAE1 (0.52) NAE1CA2GRK5CSNK1A1UBA6
SCHEMBL18872389 0.65 NAE1 (0.58) NAE1CA2GRK5CSNK1A1UBA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190255052-A1 Inhibitors of E1 Activating Enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-08-22 — — 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-20190255052-A1 Inhibitors of E1 Activating Enzymes ECE1, RNASE1, RCE1 FFAR1 3716/4885CYP2C8 1414/4885CYP2C9 2237/4885

“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.

Send feedback