SCHEMBL2870409

SCHEMBL2870409

O=C(c1ccc2[nH]nc(-c3cccc(F)c3)c2c1)N1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.56
FLT3 P36888 6/20 0.51
GABRA5 P31644 1/20 0.49
TRPM8 Q7Z2W7 1/20 0.49
RIPK1 Q13546 1/20 0.48
ABL1 P00519 2/20 0.48
BCR P11274 2/20 0.48
DYRK1A Q13627 1/20 0.48
MAPK10 P53779 1/20 0.48
LRRK2 Q5S007 1/20 0.47
JAK1 P23458 1/20 0.47
TYK2 P29597 1/20 0.47
JAK3 P52333 1/20 0.47
HPGD P15428 1/20 0.46
PLK4 O00444 1/20 0.46
MAP4K4 O95819 1/20 0.46
ROS1 P08922 1/20 0.46
FGFR1 P11362 1/20 0.46
FLT1 P17948 1/20 0.46
MARK3 P27448 1/20 0.46

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
SCHEMBL2867237 0.87 MAP4K1 (0.52) FLT3ABL1BCRDYRK1AMAPK10
SCHEMBL2858065 0.82 SMN1; SMN2 (0.51) DYRK1ALRRK2CLK2ROCK1KDM4E
SCHEMBL2864990 0.82 CYP3A4 (0.54) ABL1BCRHPGDALDH1A1
SCHEMBL2862072 0.81 DYRK1A (0.59) DYRK1AMAPK10HPGD
SCHEMBL2864296 0.79 MAPK8 (0.60) FLT3DYRK1AMAPK10ALDH1A1
SCHEMBL2858476 0.79 MAP2K4 (0.68)
SCHEMBL5801740 0.78 MAP2K4 (0.65) MAPK10
SCHEMBL12907264 0.78 JAK2 (0.82) JAK2FLT3ABL1BCRMAPK10
SCHEMBL13952065 0.78 HPGD (0.65) JAK2TRPM8RIPK1ABL1BCR
SCHEMBL5378619 0.78 ABL1 (0.57) JAK2ABL1BCRMAPK10ALDH1A1

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 12 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-7776890-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-17 US disclosed
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
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-20090203691-A1 Novel 1H-indazole compounds OINUMA HITOSHI 2009-08-13 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 JAK2 145/4885FLT3 898/4885GABRA5 3422/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 JAK2 247/4885FLT3 1241/4885GABRA5 2856/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 JAK2 145/4885FLT3 898/4885GABRA5 3422/4885

“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.