SCHEMBL16347308

SCHEMBL16347308

FC(F)(F)c1cc(-c2ccco2)nn1Cc1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.47
ADORA1 P30542 6/20 0.47
ADORA3 P0DMS8 3/20 0.47
ADORA2B P29275 3/20 0.47
ALDH1A1 P00352 9/20 0.46
MAPT P10636 8/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
ALOX15 P16050 1/20 0.44
KDM4E B2RXH2 8/20 0.44
CASP1 P29466 3/20 0.44
HSD17B10 Q99714 3/20 0.44
CASP7 P55210 2/20 0.44
MAPK1 P28482 1/20 0.44
POLB P06746 3/20 0.43
PKM P14618 1/20 0.43
RECQL P46063 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL5369670 0.89 ALDH1A1 (0.52) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL18295024 0.82 ADORA2A (0.49) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL3472815 0.74 ADORA2A (0.48) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL16347247 0.73 L3MBTL1 (0.45) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL16347055 0.72 P2RY14 (0.54) MAPTMEN1KMT2AL3MBTL1HPGD
SCHEMBL18255 0.70 ALDH1A1 (0.58) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL28060213 0.70 L3MBTL1 (0.45) ALDH1A1MAPTKMT2AL3MBTL1KDM4E
SCHEMBL16347892 0.69 SMN1; SMN2 (0.47) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL28060131 0.69 MAPT (0.49) MAPTMEN1KMT2AL3MBTL1KDM4E
SCHEMBL5374114 0.68 PDE5A (0.53) ALDH1A1MAPTALOX15KDM4ECASP1

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
CN-105492429-A Heteroaryl inhibitors of SUMO activating enzyme MILLENNIUM PHARM INC 2016-04-13 CN 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 ADORA2A 3881/4885ADORA1 4225/4885ADORA3 4313/4885

“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.