Sugi Predict

Sugi Predict / Compounds / SCHEMBL4333017

SCHEMBL4333017

SCHEMBL4333017

O=C1CC[C@H](C(=O)Nc2cc3c(-c4cc5ccccc5s4)n[nH]c3cc2F)N1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 1/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ SIRT2 Q8IXJ6 1/20 0.41
▸ SIRT1 Q96EB6 1/20 0.41
▸ MAPKAPK2 P49137 1/20 0.39
▸ PIP5K1C O60331 1/20 0.37
▸ HPGDS O60760 1/20 0.35
▸ NTRK1 P04629 2/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ NTRK3 Q16288 1/20 0.35
▸ NTRK2 Q16620 1/20 0.35
▸ PARP1 P09874 2/20 0.35
▸ ITK Q08881 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ TNIK Q9UKE5 3/20 0.34
▸ DCK P27707 1/20 0.34
▸ HTT P42858 1/20 0.33
▸ FPR1 P21462 1/20 0.33

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
SCHEMBL4329381 0.87 MAPK10 (0.59) MAPK10KMT2ASIRT2SIRT1MAPKAPK2
SCHEMBL2860663 0.85 MAPK10 (0.67) MAPK10MEN1KMT2ASMN1; SMN2SIRT2
SCHEMBL2858445 0.85 MAPK10 (0.67) MAPK10MEN1KMT2ASMN1; SMN2SIRT2
SCHEMBL4345714 0.85 MAPK10 (0.46) MAPK10MEN1KMT2ASMN1; SMN2SIRT2
SCHEMBL4335983 0.84 MEN1 (0.51) MEN1KMT2ASMN1; SMN2MAPKAPK2HPGDS
SCHEMBL4334963 0.84 MEN1 (0.51) MEN1KMT2ASMN1; SMN2MAPKAPK2HPGDS
SCHEMBL2862092 0.81 MAPK10 (0.49) MAPK10SIRT2SIRT1MAPKAPK2PIP5K1C
SCHEMBL4348193 0.81 GSK3B (0.48) MEN1KMT2ASMN1; SMN2HPGDSPARP1
SCHEMBL4339882 0.81 GSK3B (0.48) MEN1KMT2ASMN1; SMN2HPGDSPARP1
SCHEMBL4340656 0.79 MAPK10 (0.44) MAPK10MEN1KMT2ASMN1; SMN2SIRT2

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 6 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-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 MAPK10 29/4885MEN1 3782/4885KMT2A 2212/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 MAPK10 29/4885MEN1 3782/4885KMT2A 2212/4885

“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.