SCHEMBL21364129

SCHEMBL21364129

Oc1ccc(-c2ccn3c(I)cnc3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.47
FLT3 P36888 7/20 0.44
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
DYRK1A Q13627 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
ESR1 P03372 2/20 0.37
FGFR3 P22607 1/20 0.37
ALOX5 P09917 1/20 0.36

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
SCHEMBL3321603 0.84 FLT3 (0.62) KDRFLT3FGFR3
SCHEMBL5252965 0.83 KDR (0.68) KDRFLT3
SCHEMBL5249616 0.81 KDR (0.45) KDRFLT3FGFR3
SCHEMBL3177430 0.78 FLT3 (0.46) KDRFLT3
SCHEMBL3185876 0.78 FLT3 (0.43) KDRFLT3FGFR3
SCHEMBL17556152 0.77 KDR (0.82) KDRFLT3
SCHEMBL13363815 0.77 KDR (0.41) KDRFLT3
SCHEMBL16965212 0.77 FLT3 (0.48) KDRFLT3
SCHEMBL16965613 0.76 KDR (0.74) KDRFLT3FGFR3
SCHEMBL3323502 0.76 FLT3 (0.39) KDRFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10745400-B2 Inhibition of BMP signaling, compounds, compositions and uses thereof VANDERBUILT UNIVERSITY (US) 2020-08-18 US disclosed
US-20190284183-A1 INHIBITION OF BMP SIGNALING, COMPOUNDS, COMPOSITIONS AND USES THEREOF LA JOLLA PHARMACEUTICAL COMPANY 2019-09-19 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-20190284183-A1 INHIBITION OF BMP SIGNALING, COMPOUNDS, COMPOSITIONS AND USES THEREOF BMP1, BMP4, BMP2 KDR 362/4885FLT3 190/4885MEN1 525/4885
US-10745400-B2 Inhibition of BMP signaling, compounds, compositions and uses thereof BMP1, BMP4, BMP2 KDR 362/4885FLT3 190/4885MEN1 525/4885

“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.