SCHEMBL16347331

SCHEMBL16347331

O=C(c1cc(C(F)(F)F)n(Cc2cccc(Cl)c2)n1)c1cncnc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
P2RY14 Q15391 1/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KLKB1 P03952 1/20 0.39
NAE1 Q13564 1/20 0.38
UBA3 Q8TBC4 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 1/20 0.38
RPS6KB1 P23443 1/20 0.37
AKT1 P31749 1/20 0.37
NTRK1 P04629 2/20 0.36
SLC16A3 O15427 1/20 0.36
MCTS1 Q9ULC4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 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
SCHEMBL18295020 0.85 PTGER1 (0.46) P2RY14KMT2ASMN1; SMN2NAE1UBA3
SCHEMBL18277514 0.82 SAE1 (0.48) NAE1UBA3SAE1UBA2
SCHEMBL16347055 0.80 P2RY14 (0.54) PLA2G1BL3MBTL1ATG4BP2RY14KMT2A
SCHEMBL18277405 0.79 SAE1 (0.46) NAE1UBA3SAE1UBA2
SCHEMBL16388110 0.79 SAE1 (0.55) SMN1; SMN2NAE1UBA3SAE1UBA2
SCHEMBL16388024 0.78 SAE1 (0.51) NAE1UBA3SAE1UBA2
SCHEMBL16347473 0.77 L3MBTL1 (0.37) PLA2G1BL3MBTL1ATG4BKMT2ASMN1; SMN2
SCHEMBL16347415 0.77 SAE1 (0.36) P2RY14KMT2ASMN1; SMN2KLKB1NAE1
SCHEMBL16347892 0.76 SMN1; SMN2 (0.47) PLA2G1BL3MBTL1ATG4BP2RY14KMT2A
SCHEMBL16345541 0.75 PTGER1 (0.48) P2RY14KMT2ANAE1UBA3SAE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3016934-B1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARM INC (US) 2018-01-10 EP disclosed
US-9695154-B2 Heteroaryl inhibitors of sumo activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-07-04 US disclosed
US-9695154-B2 Heteroaryl inhibitors of sumo activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-07-04 US disclosed
US-20160355504-A1 HETEROARYL INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-12-08 US disclosed
US-20160355504-A1 HETEROARYL INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-12-08 US disclosed
EP-3016934-A2 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME Millennium Pharmaceuticals, Inc. (US) 2016-05-11 EP disclosed
WO-2015002994-A2 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-01-08 WO disclosed
WO-2015002994-A2 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-01-08 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-20160355504-A1 HETEROARYL INHIBITORS OF SUMO ACTIVATING ENZYME SAE1, SUMO2, SUMO1 PLA2G1B 2431/4885L3MBTL1 3702/4885ATG4B 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.