SCHEMBL10227643

SCHEMBL10227643

O=C(c1cccc(-c2ccc3ccccc3c2)c1)c1cc2ccccc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 6/20 0.59
MAP2K1 Q02750 1/20 0.56
CLK1 P49759 1/20 0.55
DYRK1A Q13627 1/20 0.55
PDGFRB P09619 6/20 0.53
PDGFRA P16234 6/20 0.53
HDAC6 Q9UBN7 3/20 0.53
HDAC3 O15379 2/20 0.53
HDAC4 P56524 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC10 Q969S8 2/20 0.53
HDAC11 Q96DB2 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC9 Q9UKV0 2/20 0.53
HDAC5 Q9UQL6 2/20 0.53
EGFR P00533 1/20 0.51
PIK3CA P42336 1/20 0.51
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL10227650 0.90 FLT3 (0.65) FLT3MAP2K1CLK1DYRK1APDGFRB
SCHEMBL10227642 0.87 FLT3 (0.54) FLT3MAP2K1CLK1DYRK1APDGFRB
SCHEMBL15558759 0.85 FLT3 (0.71) FLT3MAP2K1CLK1DYRK1APDGFRB
SCHEMBL423127 0.84 FLT3 (0.61) FLT3MAP2K1CLK1DYRK1APDGFRB
SCHEMBL10176247 0.83 FLT3 (0.44) FLT3MAP2K1PDGFRBPDGFRAEGFR
SCHEMBL10176444 0.83 FLT3 (0.55) FLT3MAP2K1CLK1DYRK1APDGFRB
SCHEMBL2729915 0.80 FLT3 (0.79) FLT3MAP2K1CLK1DYRK1APDGFRB
SCHEMBL10227645 0.79 ASH1L (0.55) FLT3MAP2K1CLK1DYRK1APDGFRB
SCHEMBL424534 0.79 PDGFRB (0.59) FLT3MAP2K1PDGFRBPDGFRAHDAC6
SCHEMBL18965053 0.79 ATM (0.59) CLK1DYRK1AMEN1KMT2ANPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022121-A1 INDOLES, DERIVATIVES AND ANALOGS THEREOF AND USES THEREFOR NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-01-26 US disclosed
US-20090142832-A1 Indoles, Derivatives, and Analogs Thereof and Uses Therefor NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-06-04 US disclosed
WO-2009070645-A1 INDOLES, DERIVATIVES, AND ANALOGS THEREOF AND USES THEREOF THE OHIO UNIVERSITY RESEARCH FOUNDATION (US) 2009-06-04 WO 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-20120022121-A1 INDOLES, DERIVATIVES AND ANALOGS THEREOF AND USES THEREFOR TUBB, TUBB3, TUBB1 FLT3 3889/4885MAP2K1 1533/4885CLK1 2230/4885
US-20090142832-A1 Indoles, Derivatives, and Analogs Thereof and Uses Therefor TUBB, TUBB1, TUBB6 FLT3 3133/4885MAP2K1 2469/4885CLK1 2821/4885

“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.