SCHEMBL2861498

SCHEMBL2861498

COc1c(N)ccc2c1c(-c1cccc(F)c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.36
ADORA2A P29274 2/20 0.36
ADORA1 P30542 3/20 0.34
ADORA2B P29275 1/20 0.34
DPP4 P27487 1/20 0.34
TUBB4A P04350 2/20 0.34
TUBB P07437 2/20 0.34
TUBA3C P0DPH7 2/20 0.34
TUBA1B P68363 2/20 0.34
TUBA4A P68366 2/20 0.34
TUBB4B P68371 2/20 0.34
TUBB3 Q13509 2/20 0.34
TUBB2A Q13885 2/20 0.34
TUBB8 Q3ZCM7 2/20 0.34
TUBA3E Q6PEY2 2/20 0.34
TUBA1A Q71U36 2/20 0.34
TUBA1C Q9BQE3 2/20 0.34
TUBB6 Q9BUF5 2/20 0.34
TUBB2B Q9BVA1 2/20 0.34
TUBB1 Q9H4B7 2/20 0.34

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
SCHEMBL2861149 0.88 ADORA1 (0.34) FYNADORA2AADORA1TUBB4ATUBB
SCHEMBL2867613 0.86 ADORA2A (0.39) ADORA2AADORA1ADORA2BDPP4ACHE
SCHEMBL2858897 0.84 SRC (0.44) ADORA2AADORA1PIK3CDRIPK2
SCHEMBL2860787 0.84 ADORA1 (0.39) ADORA2AADORA1ADORA2BDPP4ACHE
SCHEMBL2858902 0.79 ADORA2A (0.38) FYNADORA2AADORA1ADORA2BDPP4
SCHEMBL27536115 0.78 ALDH1A1 (0.41) NPC1RAB9APTGER1
SCHEMBL2860001 0.76 ADORA2A (0.42) ADORA2AADORA1ADORA2BDPP4ACHE
SCHEMBL4147011 0.75 JAK2 (0.41) ADORA2AADORA1CSNK1EPTGER1
SCHEMBL2872658 0.75 ADORA2A (0.41) ADORA2AADORA1ADORA2BDPP4ACHE
SCHEMBL4137268 0.75 DPP4 (0.42) ADORA2AADORA1ADORA2BDPP4ACHE

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 6 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
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 FYN 235/4885ADORA2A 3048/4885ADORA1 1820/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 FYN 353/4885ADORA2A 4348/4885ADORA1 2921/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 FYN 235/4885ADORA2A 3048/4885ADORA1 1820/4885

“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.