SCHEMBL21792289

SCHEMBL21792289

FC(F)(F)c1ccc(-c2cn[nH]n2)cc1C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 1.00
IDO1 P14902 6/20 0.59
METAP2 P50579 9/20 0.53
XDH P47989 1/20 0.50
SLC22A12 Q96S37 1/20 0.50
JAK2 O60674 1/20 0.49
ROCK2 O75116 1/20 0.49
PAK4 O96013 1/20 0.49
PIM1 P11309 1/20 0.49
KDR P35968 1/20 0.49
GSK3B P49841 1/20 0.49
AURKB Q96GD4 1/20 0.49
METAP1 P53582 1/20 0.49

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
SCHEMBL21792290 0.85 NOTUM (1.00) NOTUMIDO1METAP2XDHSLC22A12
SCHEMBL30567505 0.70 IDO1 (0.56) NOTUMIDO1METAP2METAP1
SCHEMBL13070907 0.70 NOTUM (0.54) NOTUMJAK2KDRAURKB
SCHEMBL104083 0.70 METAP2 (0.64) NOTUMIDO1METAP2JAK2ROCK2
SCHEMBL21776857 0.69 NOTUM (0.53) NOTUM
SCHEMBL29626826 0.66 METAP2 (1.00) NOTUMIDO1METAP2METAP1
SCHEMBL8221447 0.65 METAP2 (1.00) NOTUMIDO1METAP2METAP1
SCHEMBL3994808 0.64 NOTUM (0.47) NOTUM
SCHEMBL2751446 0.64 NOTUM (0.47) NOTUM
SCHEMBL2753317 0.64 NOTUM (0.47) NOTUM

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-20210171475-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2021-06-10 US disclosed
WO-2020043866-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2020-03-05 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-20210171475-A1 COMPOUNDS GOT2, GOT1, OAT NOTUM 5/4885IDO1 4116/4885METAP2 2776/4885

“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.