SCHEMBL2861677

SCHEMBL2861677

O=C(NCCCN1CCCC1)c1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
HRH3 Q9Y5N1 1/20 0.50
FLT3 P36888 3/20 0.47
TP53 P04637 1/20 0.47
SLC6A4 P31645 1/20 0.47
LMNA P02545 1/20 0.47
DRD3 P35462 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HTR1A P08908 1/20 0.46
HTR2A P28223 1/20 0.46
MMP13 P45452 1/20 0.46
HTR6 P50406 1/20 0.46

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
SCHEMBL8257907 0.83 KDM4E (0.55) FLT3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8268058 0.82 KDM4E (0.52) FLT3TP53LMNAKDM4EALDH1A1
SCHEMBL8256757 0.82 MAPK1 (0.54) KMT2AFLT3KDM4EALDH1A1HSD17B10
SCHEMBL8258494 0.81 KDM4E (0.51) FLT3TP53LMNAKDM4EALDH1A1
SCHEMBL8257894 0.80 FLT3 (0.47) FLT3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2864907 0.80 MAPK1 (0.69) FLT3TP53HPGDTSHR
SCHEMBL8257912 0.79 MAPK1 (0.49) KMT2AFLT3MAOBHSD17B10
SCHEMBL8287072 0.78 KMT2A (0.58) KMT2AFLT3
SCHEMBL8253993 0.78 CSNK1D (0.54) FLT3
SCHEMBL8258574 0.78 MAPK1 (0.49) MAOAMAOB

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 KMT2A 2212/4885HRH3 109/4885FLT3 898/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 KMT2A 2834/4885HRH3 120/4885FLT3 1241/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 KMT2A 2212/4885HRH3 109/4885FLT3 898/4885

“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.