SCHEMBL4332113

SCHEMBL4332113

O=C(NCc1cccnc1)c1cc2c(-c3cccc(F)c3)n[nH]c2cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
MAPK1 P28482 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KMT2A Q03164 3/20 0.48
HTT P42858 2/20 0.48
MEN1 O00255 1/20 0.48
PKM P14618 1/20 0.48
PTAFR P25105 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
USP2 O75604 1/20 0.46
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
RECQL P46063 1/20 0.44
GAA P10253 1/20 0.44
MAP2K4 P45985 2/20 0.44
MAP2K7 O14733 1/20 0.44
WNT1 P04628 1/20 0.44
DYRK1A Q13627 1/20 0.44

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
SCHEMBL4341451 0.91 KDM4E (0.49) KDM4EALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL4329328 0.88 RECQL (0.60) KDM4EALDH1A1MAPK1KMT2AMEN1
SCHEMBL4332486 0.87 KDM4E (0.48) KDM4EALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL2862186 0.84 SMN1; SMN2 (0.56) MAPK1SMN1; SMN2DYRK1A
SCHEMBL4333984 0.84 PTAFR (0.51) KDM4EALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL13927664 0.84 KDR (0.49) KDM4EALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL2867437 0.83 CSNK1D (0.47) MAPK1KMT2APTAFRMAP2K4MAP2K7
SCHEMBL4338790 0.81 RECQL (0.48) KDM4EALDH1A1LMNAKMT2AHTT
SCHEMBL4328143 0.81 HPGD (0.53) KDM4EALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL4341432 0.80 ALDH1A1 (0.47) KDM4EALDH1A1LMNAMAPK1SMN1; SMN2

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 KDM4E 2531/4885ALDH1A1 1588/4885LMNA 1893/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 KDM4E 2531/4885ALDH1A1 1588/4885LMNA 1893/4885

“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.