SCHEMBL3553003

SCHEMBL3553003

Clc1cc(NCCN2CCOCC2)nc(Cl)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
BACE1 P56817 1/20 0.51
SIGMAR1 Q99720 5/20 0.50
ALDH1A1 P00352 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
HSD17B10 Q99714 2/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
ATM Q13315 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CHRM1 P11229 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL16711175 0.86 CYP2D6 (0.55) LMNABACE1SIGMAR1ALDH1A1CYP1A2
SCHEMBL13406338 0.85 SIGMAR1 (0.48) SIGMAR1MAPTNPSR1SMN1; SMN2NPC1
SCHEMBL3556149 0.85 LMNA (0.50) LMNABACE1SIGMAR1ALDH1A1CYP1A2
SCHEMBL11791690 0.81 TLR9 (0.57) LMNAALDH1A1CYP1A2CYP2C19HSD17B10
SCHEMBL11800152 0.81 MAPT (0.60) LMNASIGMAR1ALDH1A1CYP1A2CYP2C19
SCHEMBL3550043 0.81 LMNA (0.60) LMNABACE1SIGMAR1ALDH1A1CYP1A2
SCHEMBL11793994 0.79 HSD17B10 (0.58) LMNAALDH1A1CYP1A2CYP2C19HSD17B10
SCHEMBL3713376 0.79 AURKA (0.49) LMNABACE1SIGMAR1ALDH1A1CYP1A2
SCHEMBL15260237 0.79 CYP1A2 (0.67) LMNABACE1SIGMAR1ALDH1A1CYP1A2
SCHEMBL3714240 0.77 AURKA (0.54) LMNAALDH1A1CYP1A2CYP2C19HSD17B10

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 11 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-7696204-B2 Pharmaceutical compounds LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) 2010-04-13 US disclosed
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-20090156601-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2009-06-18 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
US-20090042884-A1 Pharmaceutical Compounds F.HOFFMANN-LA ROCHE AG (CH) 2009-02-12 US disclosed
US-20090042884-A1 Pharmaceutical Compounds F.HOFFMANN-LA ROCHE AG (CH) 2009-02-12 US disclosed
WO-2007042806-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) 2007-04-19 WO disclosed
WO-2007042810-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) 2007-04-19 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 (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 LMNA 4666/4885BACE1 1343/4885SIGMAR1 1982/4885
US-20090156601-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER NR3C1, NR4A3, NR4A1 LMNA 3291/4885BACE1 3342/4885SIGMAR1 511/4885

“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.