SCHEMBL3558704

SCHEMBL3558704

CN(c1ccncc1)c1cc(N2CCOCC2)nc(Cl)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 4/20 0.42
PIK3CA P42336 3/20 0.42
PIK3CD O00329 2/20 0.42
KMT2A Q03164 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MTOR P42345 1/20 0.40
FGFR1 P11362 3/20 0.40
KDR P35968 3/20 0.40
EPHB4 P54760 3/20 0.40
PIK3CG P48736 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
ATR Q13535 1/20 0.38
ATRIP Q8WXE1 1/20 0.38
NAPEPLD Q6IQ20 1/20 0.38
HTT P42858 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
SCHEMBL3554873 0.86 EPHB4 (0.43) PIK3CBPIK3CAPIK3CDKMT2AMEN1
SCHEMBL3554145 0.81 KMT2A (0.44) PIK3CBPIK3CAPIK3CDKMT2ACYP1A2
SCHEMBL3560368 0.80 KMT2A (0.50) PIK3CBPIK3CAPIK3CDKMT2ACYP1A2
SCHEMBL4145728 0.77 PIK3CA (0.69) PIK3CBPIK3CAPIK3CDMTORKDR
SCHEMBL856718 0.74 MAPT (0.61) PIK3CBPIK3CAKMT2ACYP1A2CYP2D6
SCHEMBL19631330 0.73 KMT2A (0.44) PIK3CBPIK3CDKMT2ACYP1A2CYP2D6
SCHEMBL3926670 0.72 LMNA (0.57) PIK3CBPIK3CAPIK3CDKMT2ACYP1A2
SCHEMBL3926668 0.71 CYP1A2 (0.42) PIK3CBPIK3CAPIK3CDKMT2ACYP1A2
SCHEMBL2531188 0.70 KMT2A (0.68) PIK3CBKMT2ACYP1A2CYP2D6MAPT
SCHEMBL29762330 0.70 MAPT (0.70) PIK3CBPIK3CAKMT2ACYP1A2CYP2D6

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-7696204-B2 Pharmaceutical compounds LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) 2010-04-13 US disclosed
US-20090156601-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2009-06-18 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 (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-20090042884-A1 Pharmaceutical Compounds PIK3CA, JAK1, PIK3R1 PIK3CB 10/4885PIK3CA 1/4885PIK3CD 8/4885
US-20090156601-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER NR3C1, NR4A3, NR4A1 PIK3CB 377/4885PIK3CA 137/4885PIK3CD 494/4885

“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.