SCHEMBL3554145

SCHEMBL3554145

CN(c1ccccn1)c1cc(N2CCOCC2)nc(Cl)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
PIK3CA P42336 4/20 0.41
PIK3CB P42338 3/20 0.41
PIK3CG P48736 1/20 0.41
PIK3CD O00329 2/20 0.41
FFAR1 O14842 1/20 0.40
MTOR P42345 1/20 0.40
MAPT P10636 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP1A2 P05177 2/20 0.39

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
SCHEMBL3552324 0.82 KMT2A (0.47) KMT2AHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL3558704 0.81 PIK3CB (0.42) KMT2AHTTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL3554873 0.79 EPHB4 (0.43) KMT2ALMNAPIK3CAPIK3CBPIK3CG
SCHEMBL4133828 0.79 PIK3CA (0.68) HTTPIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL3560362 0.75 CYP2D6 (0.40) KMT2ASMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL3550609 0.73 PIK3CA (0.55) KMT2AHTTSMN1; SMN2LMNAPIK3CA
SCHEMBL856718 0.72 MAPT (0.61) KMT2AHTTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL3926889 0.72 HTT (0.43) KMT2AHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL3926891 0.72 LMNA (0.59) KMT2AHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL1617732 0.71 TYK2 (0.61) KMT2AHTTSMN1; SMN2LMNAPIK3CA

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 KMT2A 3223/4885HTT 3735/4885SMN1; SMN2 1996/4885
US-20090156601-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER NR3C1, NR4A3, NR4A1 KMT2A 3405/4885HTT 4363/4885SMN1; SMN2 2087/4885

“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.