SCHEMBL8565240

SCHEMBL8565240

O=[N+]([O-])c1ncccc1OC(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 2/20 0.49
S1PR4 O95977 1/20 0.49
RAB9A P51151 1/20 0.49
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.46
POLB P06746 2/20 0.46
HTT P42858 2/20 0.46
ESR2 Q92731 1/20 0.46
RECQL P46063 1/20 0.45
MCL1 Q07820 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 1/20 0.42

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
SCHEMBL15881734 0.90 KMT2A (0.49) KMT2AMEN1NPC1S1PR4RAB9A
SCHEMBL26481653 0.85 NPC1 (0.51) KMT2AMEN1NPC1S1PR4RAB9A
SCHEMBL27504825 0.84 KMT2A (0.44) KMT2AMEN1NPC1S1PR4RAB9A
SCHEMBL15616516 0.82 KMT2A (0.55) KMT2AMEN1NPC1S1PR4RAB9A
SCHEMBL527357 0.80 KMT2A (0.49) KMT2AMEN1NPC1S1PR4RAB9A
SCHEMBL18952480 0.80 S1PR4 (0.56) KMT2AMEN1NPC1S1PR4RAB9A
SCHEMBL8568195 0.79 KMT2A (0.36) KMT2AMEN1NPC1S1PR4RAB9A
SCHEMBL8789338 0.79 KMT2A (0.54) KMT2AMEN1NPC1S1PR4RAB9A
SCHEMBL8437 0.79 HTT (0.55) KMT2AMEN1NPC1S1PR4RAB9A
SCHEMBL8159969 0.79 KMT2A (0.54) KMT2AMEN1NPC1S1PR4RAB9A

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2991978-B1 BIHETEROARYL COMPOUNDS AND USES THEREOF F HOFFMANN LA ROCHE SA (CH) 2025-08-20 EP disclosed
CN-110003178-B Diheteroaryl compounds and uses thereof 豪夫迈·罗氏有限公司 2022-02-25 CN disclosed
US-11129832-B2 Biheteroaryl compounds and uses thereof GENENTECH, INC. (US) 2021-09-28 US disclosed
US-11129832-B2 Biheteroaryl compounds and uses thereof GENENTECH, INC. (US) 2021-09-28 US disclosed
EP-3083599-B1 PYRAZOLE DERIVATIVES AND USES THEREOF AS INHIBITORS OF DLK HOFFMANN LA ROCHE (CH) 2020-07-01 EP disclosed
EP-3083599-B1 PYRAZOLE DERIVATIVES AND USES THEREOF AS INHIBITORS OF DLK HOFFMANN LA ROCHE (CH) 2020-07-01 EP disclosed
US-20200188397-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-06-18 US disclosed
US-20200188397-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-06-18 US disclosed
CN-105939997-B Pyrazole derivatives as DLK inhibitors and uses thereof 豪夫迈·罗氏有限公司 2020-01-21 CN disclosed
CN-105431420-B Diheteroaryl compounds and uses thereof 豪夫迈·罗氏有限公司 2019-08-13 CN disclosed
WO-2015091889-A1 PYRAZOLE DERIVATIVES AND USES THEREOF AS INHIBITORS OF DLK F. HOFFMANN-LA ROCHE AG (CH) 2015-06-25 WO disclosed
WO-2015091889-A1 PYRAZOLE DERIVATIVES AND USES THEREOF AS INHIBITORS OF DLK F. HOFFMANN-LA ROCHE AG (CH) 2015-06-25 WO disclosed
US-20150175619-A1 SUBSTITUTED PYRAZOLES AND USES THEREOF GENENTECH, INC. (US) 2015-06-25 US disclosed
WO-2014177060-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF F.HOFFMANN-LA ROCHE AG (CH) 2014-11-06 WO disclosed
WO-2014177060-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF F.HOFFMANN-LA ROCHE AG (CH) 2014-11-06 WO disclosed
WO-2014111496-A1 3-SUBSTITUTED PYRAZOLES AND USE AS DLK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2014-07-24 WO disclosed
WO-2014111496-A1 3-SUBSTITUTED PYRAZOLES AND USE AS DLK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2014-07-24 WO disclosed
EP-0735025-B1 Process for producing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1998-07-01 EP disclosed
US-5648496-A AMINATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-15 US disclosed
EP-0735025-A1 Process for producing aminonitropyridines SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP 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 (3 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-11129832-B2 Biheteroaryl compounds and uses thereof BCHE, SNCA, HAX1 KMT2A 2566/4885MEN1 677/4885NPC1 1986/4885
US-20150175619-A1 SUBSTITUTED PYRAZOLES AND USES THEREOF PDXK, NLK, PDK3 KMT2A 1979/4885MEN1 2337/4885NPC1 3357/4885
US-20200188397-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF BCHE, SNCA, HAX1 KMT2A 2566/4885MEN1 677/4885NPC1 1986/4885

“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.