SCHEMBL2868599

SCHEMBL2868599

O=C(c1ccccc1)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 8/20 0.57
MAPK1 P28482 7/20 0.55
MAPK6 Q16659 4/20 0.55
MAPKAPK3 Q16644 3/20 0.55
TTK P33981 4/20 0.47
CSNK1D P48730 3/20 0.46
PDPK1 O15530 1/20 0.46
AURKA O14965 1/20 0.46
MAPK3 P27361 1/20 0.46
MAPK8 P45983 1/20 0.45
DCLK1 O15075 1/20 0.45
PRKD3 O94806 1/20 0.45
MAP4K4 O95819 1/20 0.45
CHEK2 O96017 1/20 0.45
CSF1R P07333 1/20 0.45
FER P16591 1/20 0.45
CDK2 P24941 1/20 0.45
MARK3 P27448 1/20 0.45
FLT4 P35916 1/20 0.45
FLT3 P36888 1/20 0.45

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
SCHEMBL2858476 0.88 MAP2K4 (0.68) MAP2K4MAPK1MAPK6MAPKAPK3TTK
Ethylene SCHEMBL27536148 0.86 MAP2K4 (0.65) MAP2K4MAPK1MAPK6MAPKAPK3TTK
SCHEMBL2869817 0.85 MAP2K4 (0.54) MAP2K4MAPK1MAPK6MAPKAPK3TTK
SCHEMBL5801740 0.85 MAP2K4 (0.65) MAP2K4MAPK1MAPK6MAPKAPK3TTK
SCHEMBL2862067 0.82 TTK (0.49) MAP2K4MAPK1MAPK6MAPKAPK3TTK
SCHEMBL2860913 0.81 MAP2K4 (0.61) MAP2K4MAPK1MAPK6MAPKAPK3TTK
SCHEMBL2862730 0.80 DYRK1A (0.59) DYRK1A
SCHEMBL13742747 0.79 AURKA (0.56) MAP2K4MAPK1MAPK6MAPKAPK3TTK
SCHEMBL2859867 0.78 MAP2K4 (0.81) MAP2K4MAPK1MAPK6MAPKAPK3TTK
SCHEMBL2861096 0.78 MAP2K4 (0.51) MAP2K4MAPK1MAPK6MAPKAPK3TTK

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 15 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-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-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 MAP2K4 61/4885MAPK1 1/4885MAPK6 24/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 MAP2K4 53/4885MAPK1 1/4885MAPK6 5/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 MAP2K4 61/4885MAPK1 1/4885MAPK6 24/4885

“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.