SCHEMBL3606922

SCHEMBL3606922

Fc1cc(-c2cc(N3CCOCC3)nc(-c3cccc(N4CCNCC4)c3)n2)c2cc[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATR Q13535 14/20 0.50
PIK3CA P42336 4/20 0.45
MTOR P42345 4/20 0.45
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PRKDC P78527 1/20 0.43
HTT P42858 1/20 0.43
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
PIK3CD O00329 1/20 0.42
PIM1 P11309 1/20 0.42
PIM3 Q86V86 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
HTR1A P08908 1/20 0.41
HTR7 P34969 1/20 0.41

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
SCHEMBL1026280 0.86 NPSR1 (0.59) ATRPIK3CAMTORMAPTTSHR
SCHEMBL1026930 0.82 PIK3CA (0.53) ATRPIK3CAMAPTTSHRMAPK1
SCHEMBL1028045 0.82 ATR (0.56) ATRPIK3CAMTORMAPTTSHR
SCHEMBL3604656 0.80 ATR (0.47) ATRPIK3CAMTORPRKDCPDCD1
SCHEMBL1029284 0.77 ATR (0.55) ATRPIK3CAMTORMAPTPRKDC
SCHEMBL17309137 0.77 ATR (0.57) ATRPIK3CAMTORPRKDCPDCD1
SCHEMBL3603991 0.77 ATR (0.49) ATRPIK3CAMTORPDCD1CD274
SCHEMBL3588246 0.75 ATR (0.52) ATRPIK3CAMTORPRKDCPDCD1
SCHEMBL3258608 0.74 ATR (0.54) ATRPDCD1CD274PIK3CD
SCHEMBL3588242 0.73 ATR (0.53) ATRPDCD1CD274PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US claimed
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US disclosed
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US disclosed
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US disclosed
WO-2008125833-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2008-10-23 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 (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-20100256143-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, JAK2 ATR 957/4885PIK3CA 1/4885MTOR 14/4885

“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.