SCHEMBL3554873

SCHEMBL3554873

CN(c1cccnc1)c1cc(N2CCOCC2)nc(Cl)n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHB4 P54760 6/20 0.43
FGFR1 P11362 5/20 0.43
KDR P35968 5/20 0.43
PIK3CB P42338 3/20 0.42
PIK3CA P42336 2/20 0.42
PIK3CG P48736 1/20 0.42
PIK3CD O00329 2/20 0.41
NAPEPLD Q6IQ20 1/20 0.40
ROS1 P08922 2/20 0.39
ATR Q13535 2/20 0.39
PDE10A Q9Y233 1/20 0.39
KMT2A Q03164 2/20 0.38
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
RAB9A P51151 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
SCHEMBL3558704 0.86 PIK3CB (0.42) EPHB4FGFR1KDRPIK3CBPIK3CA
SCHEMBL3558616 0.82 KMT2A (0.46) EPHB4FGFR1KDRPIK3CBPIK3CA
SCHEMBL4128785 0.79 PIK3CA (0.68) PIK3CBPIK3CAPIK3CGPIK3CDROS1
SCHEMBL3554145 0.79 KMT2A (0.44) PIK3CBPIK3CAPIK3CGPIK3CDNAPEPLD
SCHEMBL3552219 0.76 RXRA (0.40) KMT2AMEN1
SCHEMBL3607291 0.75 CHRNB2 (0.44) PIK3CBPIK3CAPIK3CDNAPEPLDLMNA
SCHEMBL856718 0.71 MAPT (0.61) PIK3CBPIK3CAKMT2ATSHRMEN1
SCHEMBL3595795 0.70 CHRNB2 (0.44) PIK3CBPIK3CAPIK3CGPIK3CDNAPEPLD
SCHEMBL3554877 0.70 PIK3CB (0.57) PIK3CBPIK3CAPIK3CDTSHR
SCHEMBL19631330 0.69 KMT2A (0.44) PIK3CBPIK3CDATRKMT2AATRIP

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 EPHB4 1017/4885FGFR1 178/4885KDR 132/4885
US-20090156601-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER NR3C1, NR4A3, NR4A1 EPHB4 821/4885FGFR1 804/4885KDR 707/4885

“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.