SCHEMBL2857935

SCHEMBL2857935

Nc1cc(F)c2c(c1)c(-c1cccc(F)c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.41
ADORA1 P30542 4/20 0.38
ADORA2B P29275 1/20 0.38
DPP4 P27487 1/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TAAR1 Q96RJ0 1/20 0.35
KIF11 P52732 1/20 0.34
PTGER1 P34995 1/20 0.34
CSNK1E P49674 1/20 0.33
PTGS2 P35354 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.32
ACHE P22303 1/20 0.32
KDM4E B2RXH2 1/20 0.32
XBP1 P17861 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPK13 O15264 1/20 0.32

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
SCHEMBL2865946 0.89 ADORA2A (0.40) ADORA2AADORA1ADORA2BDPP4ALDH1A1
SCHEMBL2855683 0.85 SRC (0.40) ADORA2AADORA1
SCHEMBL2866398 0.83 PTGER1 (0.41) ADORA2AALDH1A1LMNANPSR1PTGER1
SCHEMBL2860001 0.82 ADORA2A (0.42) ADORA2AADORA1ADORA2BDPP4ALDH1A1
SCHEMBL2872658 0.79 ADORA2A (0.41) ADORA2AADORA1ADORA2BDPP4ALDH1A1
SCHEMBL13198213 0.78 ADORA2A (0.41) ADORA2AADORA1ADORA2BDPP4ALDH1A1
SCHEMBL2857854 0.77 ALDH1A1 (0.35) ADORA2AADORA1ADORA2BALDH1A1LMNA
SCHEMBL4151644 0.74 ADORA2B (0.40) ADORA2AADORA1ADORA2BALDH1A1LMNA
SCHEMBL4136387 0.73 CSNK2A2 (0.41) ADORA2AADORA1ADORA2BALDH1A1LMNA
SCHEMBL4139399 0.73 CSNK2A2 (0.41) ADORA2AADORA1ADORA2BALDH1A1LMNA

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
US-7776890-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-17 US disclosed
EP-1380576-B1 1H-INDAZOLE COMPOUNDS INHIBITING JNK EISAI R&D MAN CO LTD (JP) 2009-11-25 EP disclosed
US-20090203691-A1 Novel 1H-indazole compounds OINUMA HITOSHI 2009-08-13 US disclosed
US-7541376-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 US disclosed
US-6982274-B2 1H-indazole compound EISAI CO., LTD. (JP) 2006-01-03 US disclosed
US-20050282880-A1 Novel 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-12-22 US disclosed
US-20040127538-A1 Novel 1h-indazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-07-01 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 (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-20090203691-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 ADORA2A 3048/4885ADORA1 1820/4885ADORA2B 3602/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 ADORA2A 4348/4885ADORA1 2921/4885ADORA2B 4432/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 ADORA2A 3048/4885ADORA1 1820/4885ADORA2B 3602/4885

“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.