SCHEMBL2860243

SCHEMBL2860243

O=C(Cc1cccs1)Nc1cc(F)c2[nH]nc(-c3ccc4ccccc4c3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 1/20 0.50
KMT2A Q03164 8/20 0.47
MEN1 O00255 7/20 0.47
SMN1; SMN2 Q16637 7/20 0.47
KDM4E B2RXH2 5/20 0.47
RAB9A P51151 4/20 0.47
NPC1 O15118 4/20 0.47
HPGD P15428 4/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
POLB P06746 3/20 0.47
HTT P42858 1/20 0.47
SHMT2 P34897 1/20 0.47
NPSR1 Q6W5P4 1/20 0.44
TYMS P04818 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
BLM P54132 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42

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
SCHEMBL2863645 0.87 TTK (0.56) TTKKMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL2864321 0.84 POLB (0.46) TTKKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL2868770 0.81 AURKA (0.51) TTKKMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL2867285 0.80 ITK (0.45) TTKRAB9ANPC1ALDH1A1CYP1A2
SCHEMBL4331515 0.80 TTK (0.49) TTKKMT2ASMN1; SMN2KDM4ERAB9A
SCHEMBL2864566 0.79 TTK (0.55) TTKKMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL2861507 0.77 TTK (0.47) TTKKMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL4338506 0.77 GSK3B (0.50)
SCHEMBL4136194 0.76 TTK (0.49) TTKKMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL4335337 0.73 MAPK10 (0.52) SHMT2

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 13 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
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 TTK 1201/4885KMT2A 2212/4885MEN1 3782/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 TTK 1066/4885KMT2A 2834/4885MEN1 4417/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 TTK 1201/4885KMT2A 2212/4885MEN1 3782/4885

“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.