SCHEMBL3558616

SCHEMBL3558616

CN(c1cccnc1)c1nc(Cl)cc(N2CCOCC2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP1A2 P05177 1/20 0.46
MAPT P10636 1/20 0.46
NAPEPLD Q6IQ20 1/20 0.43
PIK3CA P42336 2/20 0.42
PIK3CB P42338 2/20 0.42
PIK3CG P48736 1/20 0.42
PIK3CD O00329 1/20 0.39
ATR Q13535 2/20 0.39
FGFR1 P11362 2/20 0.39
KDR P35968 2/20 0.39
EPHB4 P54760 2/20 0.39
PDE10A Q9Y233 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ATRIP Q8WXE1 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL3560368 0.86 KMT2A (0.50) KMT2ACYP2D6CYP1A2MAPTNAPEPLD
SCHEMBL3554873 0.82 EPHB4 (0.43) KMT2ANAPEPLDPIK3CAPIK3CBPIK3CG
SCHEMBL3553376 0.80 GRM5 (0.40) CYP2D6CYP1A2TSHRCYP3A4CYP2C9
SCHEMBL3552324 0.78 KMT2A (0.47) KMT2ACYP2D6CYP1A2MAPTNAPEPLD
SCHEMBL16094927 0.77 CYP1A2 (0.60) KMT2ACYP2D6CYP1A2MAPTPIK3CB
SCHEMBL1029078 0.75 PIK3CA (0.63) KMT2ACYP2D6CYP1A2MAPTPIK3CA
SCHEMBL3595795 0.75 CHRNB2 (0.44) KMT2ACYP2D6CYP1A2MAPTNAPEPLD
SCHEMBL1028449 0.73 CHEK1 (0.53) KMT2ACYP2D6CYP1A2MAPTPIK3CA
SCHEMBL1376364 0.72 MAPT (0.48) KMT2ACYP2D6CYP1A2MAPTPIK3CA
SCHEMBL3602474 0.71 CYP2D6 (0.47) KMT2ACYP2D6CYP1A2MAPTPIK3CA

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-7696204-B2 Pharmaceutical compounds LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) 2010-04-13 US disclosed
US-20090042884-A1 Pharmaceutical Compounds F.HOFFMANN-LA ROCHE AG (CH) 2009-02-12 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-20090042884-A1 Pharmaceutical Compounds PIK3CA, JAK1, PIK3R1 KMT2A 3223/4885CYP2D6 874/4885CYP1A2 619/4885

“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.