SCHEMBL2864321

SCHEMBL2864321

O=C(Cc1ccsc1)Nc1cc(F)c2[nH]nc(-c3ccc4ccccc4c3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ROCK1 Q13464 2/20 0.40
ROCK2 O75116 2/20 0.40
WNT1 P04628 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
GHSR Q92847 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPY5R Q15761 2/20 0.39
KMT2A Q03164 1/20 0.39
TTK P33981 1/20 0.38
NR1H4 Q96RI1 1/20 0.37
GLS O94925 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
SCHEMBL2868575 0.87 POLB (0.45) POLBRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL2860243 0.84 TTK (0.50) POLBRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL2867285 0.79 ITK (0.45) RAB9ANPC1TTK
SCHEMBL2868892 0.79 KMT2A (0.48) POLBRAB9ANPC1SMN1; SMN2TDP1
SCHEMBL4338506 0.76 GSK3B (0.50) WNT1
SCHEMBL2864448 0.74 MAPK1 (0.47) ROCK1ROCK2WNT1TDP1TTK
SCHEMBL2857629 0.71 MAP2K4 (0.46) SMN1; SMN2ROCK1ROCK2
SCHEMBL2863645 0.71 TTK (0.56) POLBRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL4335337 0.71 MAPK10 (0.52)
SCHEMBL4331235 0.71 MEN1 (0.46) POLBSMN1; SMN2ROCK1ROCK2KMT2A

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 POLB 4277/4885RAB9A 2355/4885NPC1 1164/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 POLB 4431/4885RAB9A 2697/4885NPC1 1171/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 POLB 4277/4885RAB9A 2355/4885NPC1 1164/4885

“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.