SCHEMBL2864841

SCHEMBL2864841

O=C(NCc1cccnc1)c1ccc2[nH]nc(-c3ccc(F)cc3)c2c1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 10/20 0.67
MAPK3 P27361 7/20 0.67
HTT P42858 1/20 0.56
NAMPT P43490 2/20 0.56
TTK P33981 1/20 0.54
DGAT2 Q96PD7 1/20 0.52
NPSR1 Q6W5P4 2/20 0.52
USP2 O75604 1/20 0.51
ALDH1A1 P00352 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GAA P10253 1/20 0.50

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
SCHEMBL8256906 0.87 MAPK1 (0.76) MAPK1MAPK3NAMPTTTKL3MBTL1
SCHEMBL5386024 0.84 MAPK1 (0.68) MAPK1MAPK3TTK
SCHEMBL2866864 0.84 MAPK1 (0.74) MAPK1MAPK3TTK
SCHEMBL12907350 0.84 MAPK1 (0.61) MAPK1MAPK3HTTNAMPTTTK
SCHEMBL2859764 0.84 MAPK1 (0.59) MAPK1MAPK3HTTTTKALDH1A1
SCHEMBL8258224 0.82 CYP11B1 (0.64) MAPK1NAMPTALDH1A1GAA
SCHEMBL2858985 0.82 GAA (0.60) MAPK1MAPK3NAMPTTTKNPSR1
SCHEMBL19001179 0.81 NAMPT (0.81) NAMPT
SCHEMBL5783915 0.81 HTT (0.71) MAPK1HTTNAMPTNPSR1ALDH1A1
SCHEMBL5375457 0.81 NTRK1 (0.60) ALDH1A1

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 27 patents — showing the first 20. 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
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-7541376-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 US disclosed
US-7541376-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 US disclosed
US-20070060616-A1 Methods for treating, preventing and managing chronic lymphocytic leukemia with indazole compounds SIGNAL PHARMACEUTICALS, LLC 2007-03-15 US disclosed
CN-1300116-C 1H-indazole compounds EISAI CO LTD (JP) 2007-02-14 CN 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-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2005-01-13 US disclosed
US-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2005-01-13 US disclosed
CN-1512987-A Novel 1H-indazole compound ������������ʽ���� 2004-07-14 CN disclosed
US-20040127536-A1 Methods for treating an inflammatory condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC 2004-07-01 US disclosed
US-20040127536-A1 Methods for treating an inflammatory condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC 2004-07-01 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 (6 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-20040127536-A1 Methods for treating an inflammatory condition or inhibiting JNK MAPK1, MAP3K1, MAPKAPK2 MAPK1 1/4885MAPK3 22/4885HTT 3180/4885
US-20090203691-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 MAPK1 1/4885MAPK3 2/4885HTT 3338/4885
US-20070060616-A1 Methods for treating, preventing and managing chronic lymphocytic leukemia with indazole compounds BCL9, MCL1, INMT MAPK1 2816/4885MAPK3 1001/4885HTT 3115/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 MAPK1 1/4885MAPK3 3/4885HTT 3897/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 MAPK1 1/4885MAPK3 2/4885HTT 3338/4885
US-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith GPR119, JAK3, IGF1R MAPK1 52/4885MAPK3 4/4885HTT 1569/4885

“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.