SCHEMBL2858874

SCHEMBL2858874

O=C(Nc1ccc2c(c1)OCCO2)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.61
RAB9A P51151 9/20 0.61
MAOB P27338 5/20 0.61
CSNK2A1 P68400 1/20 0.56
SMN1; SMN2 Q16637 6/20 0.55
TP53 P04637 4/20 0.55
MEN1 O00255 1/20 0.53
HPGD P15428 1/20 0.53
KMT2A Q03164 1/20 0.53
PDPK1 O15530 1/20 0.52
ALDH1A1 P00352 2/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
HSD17B10 Q99714 1/20 0.50
NTRK1 P04629 1/20 0.49

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
SCHEMBL5378209 0.81 NPC1 (0.53) NPC1RAB9ACSNK2A1SMN1; SMN2TP53
SCHEMBL5934285 0.77 NPC1 (0.64) NPC1RAB9AMAOBSMN1; SMN2TP53
SCHEMBL2861637 0.77 PDPK1 (0.59) NPC1RAB9ACSNK2A1PDPK1NTRK1
SCHEMBL2862730 0.76 DYRK1A (0.59)
SCHEMBL30725844 0.75 PDPK1 (0.64) NPC1RAB9ACSNK2A1SMN1; SMN2PDPK1
SCHEMBL29172484 0.75 PDPK1 (0.64) NPC1RAB9ACSNK2A1SMN1; SMN2PDPK1
SCHEMBL27558704 0.75 TTK (0.56) PDPK1NTRK1
SCHEMBL2858476 0.74 MAP2K4 (0.68) NTRK1
SCHEMBL30725851 0.74 PDPK1 (0.60) NPC1RAB9ACSNK2A1SMN1; SMN2MEN1
SCHEMBL29172511 0.74 PDPK1 (0.60) NPC1RAB9ACSNK2A1SMN1; SMN2MEN1

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 11 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-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 NPC1 1164/4885RAB9A 2355/4885MAOB 2911/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 NPC1 1171/4885RAB9A 2697/4885MAOB 3051/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 NPC1 1164/4885RAB9A 2355/4885MAOB 2911/4885

“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.