SCHEMBL2301389

SCHEMBL2301389

O=C(O)c1cnn(-c2cccnc2)c1C(F)(F)F

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.76
POLB P06746 1/20 0.76
SMN1; SMN2 Q16637 1/20 0.76
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 2/20 0.56
KEAP1 Q14145 5/20 0.54
NFE2L2 Q16236 5/20 0.54
LMNA P02545 1/20 0.46
RAB9A P51151 3/20 0.46
KMT2A Q03164 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 2/20 0.45
NPC1 O15118 2/20 0.45
NAMPT P43490 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
SCHEMBL30713090 1.00 MAPT (0.76) MAPTPOLBSMN1; SMN2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL26127049 0.99 MAPT (0.74) MAPTPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL30254421 0.88 MAPT (0.58) MAPTPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL30147326 0.88 MAPT (0.58) MAPTPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL595690 0.87 MAPT (1.00) MAPTPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL21604946 0.84 MAPT (0.78) MAPTPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL27171649 0.82 MAPT (0.70) MAPTPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL26125690 0.82 MAPT (0.69) MAPTPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL21605124 0.81 TRPC1 (0.58) MAPTPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL30147834 0.81 TRPC1 (0.58) MAPTPOLBSMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240425480-A1 NOVEL PYRIDINE DERIVATIVE COMPOUND AS RON INHIBITOR LG CHEM, LTD. (KR) 2024-12-26 US disclosed
US-20240317739-A1 NOVEL UREA DERIVATIVE COMPOUND AS RON INHIBITOR LG CHEM, LTD. (KR) 2024-09-26 US disclosed
EP-4349825-A1 NOVEL PYRIDINE DERIVATIVE COMPOUND AS RON INHIBITOR LG Chem, Ltd. (KR) 2024-04-10 EP disclosed
EP-4339196-A1 NOVEL UREA DERIVATIVE COMPOUND AS RON INHIBITOR LG Chem, Ltd. (KR) 2024-03-20 EP disclosed
CN-117500804-A Novel urea derivative compounds as RON inhibitors 株式会社LG化学 2024-02-02 CN disclosed
CN-112601747-B Pyrazole derivatives as MALT1 inhibitors 詹森药业有限公司 2023-02-21 CN disclosed
EP-2462139-B1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2015-01-14 EP disclosed
EP-2462139-B1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2015-01-14 EP disclosed
US-8399451-B2 Heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-19 US disclosed
US-8399451-B2 Heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-19 US disclosed
US-8399451-B2 Heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-19 US disclosed
US-20110190255-A1 HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2011-08-04 US disclosed
US-20110190255-A1 HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2011-08-04 US disclosed
US-20110190255-A1 HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2011-08-04 US disclosed
WO-2011017578-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-10 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 (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-20110190255-A1 HETEROCYCLIC COMPOUNDS S1PR1, S1PR3, S1PR5 MAPT 4760/4885POLB 3979/4885SMN1; SMN2 1771/4885
US-20240425480-A1 NOVEL PYRIDINE DERIVATIVE COMPOUND AS RON INHIBITOR RET, MST1R, ROS1 MAPT 4286/4885POLB 4572/4885SMN1; SMN2 4129/4885
US-20240317739-A1 NOVEL UREA DERIVATIVE COMPOUND AS RON INHIBITOR CDKN1A, RET, UBTF MAPT 2721/4885POLB 3957/4885SMN1; SMN2 4350/4885

“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.