SCHEMBL4338569

SCHEMBL4338569

O=C(Nc1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1F)C1CCCO1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 6/20 0.45
LMNA P02545 4/20 0.45
SMN1; SMN2 Q16637 6/20 0.44
NPC1 O15118 5/20 0.44
RAB9A P51151 4/20 0.44
HPGD P15428 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TP53 P04637 2/20 0.44
PKM P14618 1/20 0.44
POLB P06746 2/20 0.42
HSD17B10 Q99714 3/20 0.41
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
HTT P42858 2/20 0.41

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
SCHEMBL4336796 0.86 GSK3B (0.49) GSK3BMAPK14
SCHEMBL4334983 0.83 MAPK10 (0.49) ADORA3ADORA2AADORA1ALDH1A1KDM4E
SCHEMBL4335335 0.80 MEN1 (0.48) SMN1; SMN2MEN1KMT2APOLBGSK3B
SCHEMBL4336464 0.78 ADORA3 (0.47) ADORA3ADORA2AADORA1ALDH1A1KDM4E
SCHEMBL4329234 0.76 MAPT (0.44) ADORA3ADORA2AADORA1ALDH1A1KDM4E
SCHEMBL2861587 0.74 KDR (0.49) NPC1RAB9AGSK3B
SCHEMBL2861507 0.74 TTK (0.47) ALDH1A1KDM4ELMNASMN1; SMN2NPC1
SCHEMBL4335978 0.72 GSK3B (0.47) ALDH1A1HDAC1HDAC2HTTGSK3B
SCHEMBL4338883 0.72 GSK3B (0.58) ADORA3ADORA2AADORA1GSK3B
SCHEMBL2870195 0.72 MAP2K4 (0.43)

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 7 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
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 ADORA3 1577/4885ADORA2A 3048/4885ADORA1 1820/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 ADORA3 1577/4885ADORA2A 3048/4885ADORA1 1820/4885

“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.