SCHEMBL17700752

SCHEMBL17700752

Cc1ccnc(NCC(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.54
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
POLB P06746 2/20 0.51
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.43
NPC1 O15118 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
PHGDH O43175 2/20 0.42
HPGD P15428 1/20 0.42
FDPS P14324 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL17700067 0.88 NOS2 (0.53) NOS2KMT2AMEN1POLBALDH1A1
SCHEMBL17700075 0.88 NOS2 (0.53) NOS2KMT2AMEN1POLBALDH1A1
SCHEMBL16220813 0.85 NOS2 (0.48) NOS2KMT2AMEN1POLBALDH1A1
SCHEMBL17700313 0.84 NOS2 (0.56) NOS2KMT2AMEN1POLBALDH1A1
SCHEMBL17700570 0.81 KMT2A (0.54) NOS2KMT2AMEN1POLBALDH1A1
SCHEMBL21889142 0.79 ALDH1A1 (0.39) NOS2ALDH1A1KDM4EL3MBTL1
SCHEMBL24605491 0.79 MEN1 (0.41) NOS2KMT2AMEN1ALDH1A1KDM4E
SCHEMBL17700712 0.79 MAPK1 (0.48) NOS2ALDH1A1L3MBTL1PHGDH
SCHEMBL31294545 0.79 IL1B (0.43) POLBCYP1A2PHGDH
SCHEMBL26686808 0.79 IRAK4 (0.35) NOS2KMT2AMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023218201-A1 IKK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-11-16 WO disclosed
EP-3642199-B1 BENZOFURANS AS IRAK4 MODULATORS HOFFMANN LA ROCHE (CH) 2022-04-27 EP disclosed
WO-2021219594-A1 SPIROUREA DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2021-11-04 WO disclosed
EP-3031799-B1 AROMATIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-04-04 EP disclosed
US-9776962-B2 Aromatic compounds with GPR40 agonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-03 US disclosed
EP-3031799-A1 AROMATIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-06-15 EP disclosed
US-20160115128-A1 AROMATIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-04-28 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-20160115128-A1 AROMATIC COMPOUND GLP1R, GPR119, GPR39 NOS2 3315/4885KMT2A 1359/4885MEN1 1427/4885

“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.