SCHEMBL2861173

SCHEMBL2861173

COc1c(NC(=O)OCc2ccccc2)ccc2c1c(-c1ccc3ccccc3c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.43
LCK P06239 1/20 0.43
KDR P35968 1/20 0.43
LIMK1 P53667 1/20 0.43
LIMK2 P53671 1/20 0.43
TEK Q02763 1/20 0.43
TACR3 P29371 1/20 0.42
MGLL Q99685 2/20 0.40
FAAH O00519 1/20 0.40
VCP P55072 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAOB P27338 1/20 0.38
PLAU P00749 1/20 0.37
RIPK2 O43353 1/20 0.37
ENPP2 Q13822 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37

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
SCHEMBL2867721 0.89 SRC (0.39) SRCLCKKDRLIMK1LIMK2
SCHEMBL2860417 0.85 FAAH (0.39) SRCLCKKDRLIMK1LIMK2
SCHEMBL2862953 0.78 MGLL (0.43) SRCLCKKDRLIMK1LIMK2
SCHEMBL2858897 0.77 SRC (0.44) SRCKDRRIPK2
SCHEMBL2861505 0.74 MAOB (0.48) MGLLFAAHNPC1RAB9ASMN1; SMN2
SCHEMBL2865210 0.74 MAOB (0.36) MGLLFAAHNPC1RAB9ASMN1; SMN2
SCHEMBL2861152 0.73 SLC6A3 (0.43) SRCVCPRIPK2
SCHEMBL17084245 0.72 MAPK1 (0.46) TACR3MGLLFAAHNPC1RAB9A
SCHEMBL2862655 0.70 SRC (0.40) SRCVCPRIPK2
SCHEMBL2857580 0.69 MGLL (0.43) TACR3MGLLNPC1RAB9ASMN1; SMN2

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 8 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
EP-1380576-A1 NOVEL 1H-INDAZOLE COMPOUND Eisai Co., Ltd. (JP) 2004-01-14 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-20090203691-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 SRC 261/4885LCK 155/4885KDR 2411/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 SRC 258/4885LCK 240/4885KDR 3273/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 SRC 261/4885LCK 155/4885KDR 2411/4885

“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.