SCHEMBL251925

SCHEMBL251925

CC[C@H](C)n1nc(I)c2c(N)nc(N3CCOCC3)nc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 2/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 2/20 0.36
GLA P06280 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PIK3CA P42336 5/20 0.36
MTOR P42345 4/20 0.36
POLB P06746 1/20 0.36
PIK3R1 P27986 3/20 0.35
PIK3CD O00329 2/20 0.35
PIK3CB P42338 2/20 0.35
PIK3CG P48736 2/20 0.35

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
SCHEMBL251539 1.00 KMT2A (0.40) KMT2ATSHRMAPK1SMN1; SMN2ALDH1A1
SCHEMBL12920888 0.88 KMT2A (0.43) KMT2ATSHRMAPK1SMN1; SMN2ALDH1A1
SCHEMBL4572205 0.76 PIK3CD (0.36) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL18708681 0.75 PIK3CA (0.44) KMT2ATSHRALDH1A1HPGDGAA
SCHEMBL4572181 0.73 PDE8B (0.39) MAPK1PIK3CAMTORPIK3CDPIK3CB
SCHEMBL239360 0.71 PIK3CA (0.56) KMT2AMAPK1SMN1; SMN2ALDH1A1HPGD
SCHEMBL4572146 0.71 PIK3CA (0.56) KMT2AMAPK1SMN1; SMN2ALDH1A1HPGD
SCHEMBL244324 0.71 PIK3CA (0.56) KMT2AMAPK1SMN1; SMN2ALDH1A1HPGD
SCHEMBL4572197 0.68 SRC (0.54) MAPK1PIK3CAMTORPIK3CDPIK3CB
SCHEMBL4572199 0.68 SRC (0.54) MAPK1PIK3CAMTORPIK3CDPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. 2012-03-08 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 (1 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-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA KMT2A 2628/4885TSHR 4336/4885MAPK1 128/4885

“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.